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(25S)-3beta-hydroxy-5-cholestenoate

MNXM100990 is deprecated and here replaced by MNXM725962
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM725962

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₂₇H₄₃O₃

charge

-1

mass

415.32177

reference

chebi:71567

InChIKey

WVXOMPRLWLXFAP-DDMWTQRYSA-M

InChI

InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/p-1/t17-,18+,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]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71567 chebi:71567	(25S)-3beta-hydroxy-5-cholestenoate (25S)-3beta-hydroxycholest-5-en-26-oate (25S)-cholestenoate (3beta,25S)-3-hydroxycholest-5-en-26-oate
seed.compound:cpd35933 seedM:cpd35933	(25S)-26-carboxycholesterol (25S)-3beta-hydroxycholest-5-en-26-oate
metacyc.compound:CPD-19072 metacycM:CPD-19072	(25S)-3beta-hydroxycholest-5-en-26-oate (25S)-26-carboxycholesterol
CHEBI:71616 chebi:71616	(25S)-cholestenoic acid (25S)-3beta-hydroxycholest-5-en-26-oic acid (3beta,25S)-3-hydroxycholest-5-en-26-oic acid
lipidmaps:LMST04030219 lipidmapsM:LMST04030219	(25S)-cholestenoic acid (25S)-3beta-hydroxycholest-5-en-26-oic acid O3 ST 27:2
SLM:000390073 slm:000390073	3beta-hydroxy-5-cholestenoate
seedM:M_cpd35933	secondary/obsolete/fantasy identifier