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(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM24261

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₄H₃₄O₄

charge

mass

386.24571

reference

chebi:173185

InChIKey

QKMUYLAFPCTBBC-GYMAPVEQSA-N

InChI

InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)13-21(26)24(15,3)20(17)10-11-23(18,19)2/h4-5,7,9,14,16-17,19-21,25-26H,6,8,10-13H2,1-3H3,(H,27,28)/b9-4+/t14-,16-,17+,19+,20+,21+,23-,24+/m1/s1

SMILES

C[C@H](/C=C/C(=O)O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:173185 chebi:173185	(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid (E,4R)-4-[(1S,3R,8S,9S,10R,13S,14S)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid
lipidmaps:LMST04010342 lipidmapsM:LMST04010342	(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid O4 ST 24:4