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Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
9 steps
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
6 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
9 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
9 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
7 steps
Depiction
Dead-End Product
HAEXIRNDOOGJLO-KTAJNNJTSA-N
C(C(=O)O)=[N+](C(=O)C(=O)O)[O-]
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
5 steps
Depiction
Dead-End Product
TVXFXHBZOJOCMS-UHFFFAOYSA-N
CC(C(O)=O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)=O)C)=O)C
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
3 steps
Depiction
Dead-End Product
LVENNQBPWBOZQB-UHFFFAOYSA-N
CC(CCC(=O)[N+](=CC(=O)O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O…

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Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 2
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 3
Depiction
Downstream Successor
FOCAUTSVDIKZOP-UHFFFAOYSA-M
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 2
Depiction
Downstream Successor
AEMRFAOFKBGASW-UHFFFAOYSA-N
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 2
Depiction
Downstream Successor
WGCNASOHLSPBMP-UHFFFAOYSA-N
Glycolaldehyde
C(C=O)O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 3
Depiction
Downstream Successor
HHLFWLYXYJOTON-UHFFFAOYSA-N
Glyoxylic Acid
C(=O)(C=O)O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 2
Depiction
Downstream Successor
DHMQDGOQFOQNFH-UHFFFAOYSA-N
Glycine
C(CN)(O)=O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 2
Depiction
Downstream Successor
LYIIBVSRGJSHAV-UHFFFAOYSA-N
Aminoacetaldehyde
NCC=O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 2
Depiction
Downstream Successor
BEBCJVAWIBVWNZ-UHFFFAOYSA-N
Glycinamide
NCC(N)=O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 2
Depiction
Downstream Successor
TZGPACAKMCUCKX-UHFFFAOYSA-N
2-Hydroxyacetamide
C(O)C(N)=O
Depiction
Precursor
URJQSMIFSMHWSP-SVQRMZLBSA-N
2-[[2-[[(4R)-4-[(3R,5S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3…
Depth 1
Depiction
Downstream Successor
XOAAWQZATWQOTB-UHFFFAOYSA-N
Taurine
C(CS(=O)(=O)O)N

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No Original Precursors

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No All Precursors

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