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torulene

PropertiesImage
MNX_IDMNXM4117 Image of MNXM4117
referencechebi:9638
formulaC40H54
global charge0
mol weight534.872
InChIKeyAIBOHNYYKWYQMM-MXBSLTGDSA-N
InChIInChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
SMILESCC(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(C)/C=C/C1=C(C)CCCC1(C)C
MNX internals
InChI (mnx)InChI=1/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+ Image of MNXM4117
SMILES (mnx)[CH3:1]/[C:32]([CH3:2])=[CH:18]/[CH:13]=[CH:21]/[C:35]([CH3:5])=[CH:24]/[CH:15]=[CH:26]/[C:36]([CH3:6])=[CH:25]/[CH:14]=[CH:22]/[C:33]([CH3:3])=[CH:19]/[CH:11]=[CH:12]/[CH:20]=[C:34]([CH3:4])/[CH:23]=[CH:16]/[CH:27]=[C:37]([CH3:7])/[CH:29]=[CH:30]/[C:39]1=[C:38]([CH3:8])[CH2:28][CH2:17][CH2:31][C:40]1([CH3:9])[CH3:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9638
chebi:9638
AIBOHNYYKWYQMM-MXBSLTGDSA-N 		torulene
(3'E)-3',4'-didehydro-beta,psi-carotene

kegg.compound:C08613
keggC:C08613
lipidmaps:LMPR01070088
lipidmapsM:LMPR01070088
AIBOHNYYKWYQMM-MXBSLTGDSA-N 		Torulene

seed.compound:cpd05520
seedM:cpd05520
AIBOHNYYKWYQMM-MXBSLTGDSA-N 		Torulene
3',4'-didehydro-beta,psi-carotene
torulene
hmdb:HMDB0304501
AIBOHNYYKWYQMM-GELUXPMISA-N 		torulene
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene

metacyc.compound:CPD-7953
metacycM:CPD-7953
AIBOHNYYKWYQMM-MXBSLTGDSA-N 		torulene
3',4'-didehydro-beta,psi-carotene

keggC:M_C08613
seedM:M_cpd05520 		secondary/obsolete/fantasy identifier