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CHEBI:232218 - aspartylodeoxycholic acid

Default Structure
ChEBI IDCHEBI:232218
ChEBI Nameaspartylodeoxycholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC28H45NO7
Net Charge0
Average Mass507.668
Monoisotopic Mass507.31960
SMILESC[C@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIInChI=1S/C28H45NO7/c1-15(4-9-24(32)29-22(26(35)36)14-25(33)34)19-7-8-20-18-6-5-16-12-17(30)10-11-27(16,2)21(18)13-23(31)28(19,20)3/h15-23,30-31H,4-14H2,1-3H3,(H,29,32)(H,33,34)(H,35,36)/t15-,16-,17-,18+,19-,20+,21+,22+,23+,27+,28-/m1/s1
InChIKeyKRXFBWAVDGDSRN-NNXRQJHTSA-N
ChEBI Ontology
Outgoing Relation(s)
aspartylodeoxycholic acid (CHEBI:232218) is a organic molecular entity (CHEBI:50860)