loading...| Preferred Name | (-)-stercobilin | |
| Synonyms |
(2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid (2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid Stercobilin L-Urobilin L-Stercobilin stercobilin IX (2R,3R,4S,10Z,16S,17R,18R)-3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-21H-biline-8,12-dipropanoic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_29023 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:34217-90-8 Beilstein:5326728 KEGG:C05793 |
|
| formula |
C33H46N4O6 |
|
| has_alternative_id |
CHEBI:6319 |
|
| has_exact_synonym |
(2R,3R,4S,10Z,16S,17R,18R)-3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-21H-biline-8,12-dipropanoic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid (2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid Stercobilin L-Urobilin L-Stercobilin stercobilin IX |
|
| id |
CHEBI:29023 |
|
| in_subset | ||
| inchi |
InChI=1S/C33H46N4O6/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/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t16-,19-,20-,21-,26+,27+/m1/s1 |
|
| inchikey |
DEEUSUJLZQQESV-BQUSTMGCSA-N |
|
| label |
(-)-stercobilin |
|
| mass |
594.74170 |
|
| monoisotopicmass |
594.34174 |
|
| notation |
CHEBI:29023 |
|
| prefLabel |
(-)-stercobilin |
|
| smiles |
CC[C@H]1[C@H](Cc2[nH]c(\C=C3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(C)=C/3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[C@@H]1C |
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| treeView | ||
| subClassOf |