(Q2413085)

Stercobilinogen (English)

5 October 2016

chemical formula

C₃₃H₄₈N₄O₆

1 reference

Stercobilinogen (English)

5 October 2016

canonical SMILES

CCC1C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C

1 reference

Stercobilinogen (English)

5 October 2016

isomeric SMILES

CC[C@@H]1[C@H](C(=O)N[C@H]1CC2=C(C(=C(N2)CC3=C(C(=C(N3)C[C@H]4[C@@H]([C@H](C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C

1 reference

InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1

Stercobilinogen (English)

5 October 2016

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Stercobilinogen

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Identifiers

InChI

1 reference

Stercobilinogen (English)

5 October 2016

2 references

Stercobilinogen (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(-)-stercobilinogen (English)

5 October 2016

1 reference

(-)-Stercobilinogen (English)

5 October 2016

2 references

Stercobilinogen (English)

5 October 2016

ChEBI ID

6320

mapping relation type

2 references

(-)-stercobilinogen (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1

1 reference

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DSSTOX compound identifier

DTXCID901331938

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Human Metabolome Database ID

HMDB0004157

2 references

based on heuristic

inferred from InChIKey

UNII

91VQJ22OZ5

1 reference

1 reference