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campest-4-en-3-one

MNXM3936 is deprecated and here replaced by MNXM735332
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM735332

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	2

formula

C₂₈H₄₆O

charge

mass

398.35487

reference

chebi:18534

InChIKey

QQIOPZFVTIHASB-IMUDCKKOSA-N

InChI

InChI=1S/C28H46O/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/h17-20,23-26H,7-16H2,1-6H3/t19-,20-,23+,24-,25+,26+,27+,28-/m1/s1

SMILES

CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=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:18534 chebi:18534	campest-4-en-3-one (24R)-Ergost-4-en-3-one (24R)-ergost-4-en-3-one
sabiork.compound:32264 sabiorkM:32264	Campest-4-en-3-one (24R)-24-Methyl-cholest-4-en-3-one Campestenone
seed.compound:cpd14521 seedM:cpd14521	Campest-4-en-3-one (24R)-24-methyl-cholest-4-en-3-one (24R)-Ergost-4-en-3-one 3-dehydro-delta4-5-campesterol campest-4-en-3-one methylcholestenone
kegg.compound:C15785 keggC:C15785	Campest-4-en-3-one (24R)-Ergost-4-en-3-one
metacyc.compound:CPD-698 metacycM:CPD-698	campest-4-en-3-one (24R)-24-methyl-cholest-4-en-3-one 3-dehydro-Delta4-5-campesterol methylcholestenone
lipidmaps:LMST01030122 lipidmapsM:LMST01030122	campest-4-en-3-one O ST 28:2
keggC:M_C15785 seedM:M_cpd14521	secondary/obsolete/fantasy identifier