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(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM30789

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

formula

C₂₇H₄₆O₅

charge

mass

450.33452

reference

chebi:48044

InChIKey

CNWPIIOQKZNXBB-TVOMGIAASA-N

InChI

InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16+,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

SMILES

C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48044 chebi:48044	(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid (3alpha,5beta,7alpha,12alpha,25S)-3,7,12-trihydroxycholestan-26-oic acid
lipidmaps:LMST04030152 lipidmapsM:LMST04030152	(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid (3alpha,5beta,7alpha,12alpha,25S)-3,7,12-trihydroxycholestan-26-oic acid O5 ST 27:1