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(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene

PropertiesImage
MNX_IDMNXM115404 Image of MNXM115404
referencechebi:176030
formulaC40H56O
global charge0
mol weight552.887
InChIKeySELMQMFULRQVFS-AACGPBLISA-N
InChIInChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26,28,38H,16,25,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC2OC2(C)C)C(C)(C)CCC1
MNX internals
InChI (mnx)InChI=1/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26,28,38H,16,25,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t38? Image of MNXM115404
SMILES (mnx)[CH3:1][C:31](=[CH:17]\[CH:11]=[CH:12]\[CH:18]=[C:32]([CH3:2])\[CH:20]=[CH:14]\[CH:23]=[C:34]([CH3:4])\[CH:26]=[CH:28]\[C:37]1=[C:36]([CH3:6])[CH2:25][CH2:16][CH2:30][C:39]1([CH3:7])[CH3:8])/[CH:19]=[CH:13]/[CH:21]=[C:33]([CH3:3])/[CH:22]=[CH:15]/[CH:24]=[C:35](\[CH3:5])[CH2:27][CH2:29][CH:38]1[C:40]([CH3:9])([CH3:10])[O:41]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176030
chebi:176030
SELMQMFULRQVFS-AACGPBLISA-N 		(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene
2,2-dimethyl-3-[(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohexen-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaenyl]oxirane
hmdb:HMDB0030607
SELMQMFULRQVFS-AACGPBLISA-N 		(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene
2,2-dimethyl-3-[(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohex-1-en-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaen-1-yl]oxirane

lipidmaps:LMPR01070555
lipidmapsM:LMPR01070555
SELMQMFULRQVFS-AACGPBLISA-N 		gamma-Carotene-1',2'-epoxide
1',2'-Epoxy-1',2'-dihydro-beta,psi-carotene

hmdb:HMDB30607 		secondary/obsolete/fantasy identifier