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ergosterol

MNXM741451 is deprecated and replaced by MNXM741449

Properties

Image

Occurences in reactions

MNX_ID

MNXM741449

	#reac
in my sandbox	0
in MNXref (generic)	31
in models (compartimentalized)	3

formula

C₂₈H₄₄O

charge

mass

396.33922

reference

chebi:16933

InChIKey

DNVPQKQSNYMLRS-APGDWVJJSA-N

InChI

InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1

SMILES

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16933 chebi:16933	ergosterol (22E)-ergosta-5,7,22-trien-3beta-ol (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol ERGOSTEROL Ergosterol Provitamin D2
bigg.metabolite:ergst biggM:ergst	Ergosterol
hmdb:HMDB0000878	Ergosterol (1S,2R,5S,11R,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol (22E,24R)-Ergosta-5,7,22-trien-3beta-ol (22E,24S)-24-Methylcholesta-5,7,22-trien-3b-ol (22E,24S)-24-Methylcholesta-5,7,22-trien-3beta-ol (24R)-Ergosta-5,7,22-trien-3beta-ol (3beta,22E)-Ergosta-5,7,22-trien-3-ol 24-Methylcholesta-5,7,22-trien-3beta-ol 24R-Methylcholesta-5,7,22E-trien-3beta-ol 24alpha-Methyl-22E-dehydrocholesterol 3beta-Hydroxyergosta-5,7,22-triene D2, Pro-vitamin Ergosterin Lumisterol Pro vitamin D2 Pro-vitamin D2 Provitamin D Provitamin D 2 Provitamin D2
lipidmaps:LMST01030093 lipidmapsM:LMST01030093	Ergosterol O ST 28:3 ergosta-5,7,22E-trien-3beta-ol
sabiork.compound:5736 sabiorkM:5736 kegg.compound:C01694 keggC:C01694	Ergosterol Provitamin D2
seed.compound:cpd01170 seedM:cpd01170	Ergosterol Provitamin D2 ergosterol ergst provitamin D2
SLM:000000326 slm:000000326	ergosterol
metacyc.compound:ERGOSTEROL metacycM:ERGOSTEROL	ergosterol provitamin D2
hmdb:HMDB00878 chebi:14214 chebi:23942 chebi:42264 chebi:4825 biggM:M_ergst keggC:M_C01694 seedM:M_cpd01170	secondary/obsolete/fantasy identifier