MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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9,9',15-tri-cis-zeta-carotene

	Properties	Image
MNX_ID	MNXM1716
reference	chebi:48717
formula	C₄₀H₆₀
global charge	0
mol weight	540.92
InChIKey	BIWLELKAFXRPDE-LMARSQGMSA-N
InChI	InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11-,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)CC/C=C(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11-,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-
SMILES (mnx)	[CH3:1][C:33]([CH3:2])=[CH:19][CH2:13][CH2:23]/[C:37]([CH3:7])=[CH:27]/[CH2:17][CH2:31]/[C:39]([CH3:9])=[CH:29]\[CH:15]=[CH:25]\[C:35]([CH3:5])=[CH:21]\[CH:11]=[CH:12]/[CH:22]=[C:36]([CH3:6])/[CH:26]=[CH:16]/[CH:30]=[C:40](/[CH3:10])[CH2:32][CH2:18]/[CH:28]=[C:38](\[CH3:8])[CH2:24][CH2:14][CH:20]=[C:34]([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48717 chebi:48717 BIWLELKAFXRPDE-LMARSQGMSA-N	9,9',15-tri-cis-zeta-carotene (6E,10Z,12E,14E,16Z,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene 9,15,9'-tri-cis-zeta-carotene 9,15,9'-tricis-zeta-carotene 9-cis,9'-cis,15-cis-7,8,7',8'-tetrahydro-psi,psi-carotene
metacyc.compound:CPD-7535 metacycM:CPD-7535 BIWLELKAFXRPDE-LMARSQGMSA-N	9,15,9'-tri-cis-zeta-carotene 9,15,9'-cis-zeta-carotene
kegg.compound:C19764 keggC:C19764 BIWLELKAFXRPDE-LMARSQGMSA-N	9,15,9'-tricis-zeta-Carotene
seed.compound:cpd21010 seedM:cpd21010 BIWLELKAFXRPDE-LMARSQGMSA-N	9,15,9'-tricis-zeta-Carotene 9,15,9'-cis-zeta-carotene 9,15,9'-tri-cis-zeta-carotene
lipidmaps:LMPR01070296 lipidmapsM:LMPR01070296 BIWLELKAFXRPDE-LMARSQGMSA-N	9,9',15-tri-cis-zeta-carotene (6E,10Z,12E,14E,16Z,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene 9,15,9'-tri-cis-zeta-carotene 9-cis,9'-cis,15-cis-7,8,7',8'-tetrahydro-psi,psi-carotene
keggC:M_C19764 seedM:M_cpd21010	secondary/obsolete/fantasy identifier