loading...| Preferred Name |
glycochenodeoxycholate |
|
| Synonyms |
N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate glycochenodeoxycholate |
|
| Definitions |
A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_36252 |
|
| charge |
-1 |
|
| database_cross_reference |
Beilstein:3730023 Reaxys:3730023 |
|
| definition |
A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid. |
|
| formula |
C26H42NO5 |
|
| has_alternative_id |
CHEBI:59452 CHEBI:58664 |
|
| has_exact_synonym |
N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate glycochenodeoxycholate |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:36252 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1 |
|
| inchikey |
GHCZAUBVMUEKKP-GYPHWSFCSA-M |
|
| is_conjugate_base_of | ||
| label |
glycochenodeoxycholate |
|
| mass |
448.61542 |
|
| monoisotopicmass |
448.30685 |
|
| notation |
CHEBI:36252 |
|
| prefLabel |
glycochenodeoxycholate |
|
| RO_0000087 | ||
| smiles |
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O |
|
| subClassOf |