Search MNXref
 Feedback

campest-4-en-3-one

MNXM3936 is deprecated and here replaced by MNXM735332
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735332 Image of MNXM735332
referencechebi:18534
formulaC28H46O
global charge0
mol weight398.675
InChIKeyQQIOPZFVTIHASB-IMUDCKKOSA-N
InChIInChI=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
SMILESCC(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@]12C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM735332
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C@H:19]([CH3:3])[CH2:7][CH2:8][C@@H:20]([CH3:4])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C@@H:23]3[CH2:10][CH2:9][C:21]4=[CH:17][C:22](=[O:29])[CH2:13][CH2:15][C@:27]4([CH3:5])[C@H:26]3[CH2:14][CH2:16][C@:28]12[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18534
chebi:18534
QQIOPZFVTIHASB-IMUDCKKOSA-N 		campest-4-en-3-one
(24R)-Ergost-4-en-3-one
(24R)-ergost-4-en-3-one
hmdb:HMDB0012196
QQIOPZFVTIHASB-IMUDCKKOSA-N 		Campest-4-en-3-one
(1S,2R,10S,11S,14R,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
(24R)-24-Methyl-cholest-4-en-3-one
(24R)-Ergost-4-en-3-one
3-Dehydro-delta4-5-campesterol
Methylcholestenone

sabiork.compound:32264
sabiorkM:32264
QQIOPZFVTIHASB-IMUDCKKOSA-N 		Campest-4-en-3-one
(24R)-24-Methyl-cholest-4-en-3-one
Campestenone

seed.compound:cpd14521
seedM:cpd14521
QQIOPZFVTIHASB-IMUDCKKOSA-N 		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
QQIOPZFVTIHASB-IMUDCKKOSA-N 		Campest-4-en-3-one
(24R)-Ergost-4-en-3-one

metacyc.compound:CPD-698
metacycM:CPD-698
QQIOPZFVTIHASB-IMUDCKKOSA-N 		campest-4-en-3-one
(24R)-24-methyl-cholest-4-en-3-one
3-dehydro-Delta4-5-campesterol
methylcholestenone

lipidmaps:LMST01030122
lipidmapsM:LMST01030122
QQIOPZFVTIHASB-IMUDCKKOSA-N 		campest-4-en-3-one
O
ST 28:2

hmdb:HMDB12196
keggC:M_C15785
seedM:M_cpd14521 		secondary/obsolete/fantasy identifier