**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

torulene

Properties Image MNX_ID MNXM1584419 reference chebi:9638 formula C40H54 global charge 0 mol weight 534.872 InChIKey AIBOHNYYKWYQMM-MXBSLTGDSA-N InChI InChI=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+ SMILES CC(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+ 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

Identifier	Description
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
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