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

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15-cis-4,4'-diapophytoene

	Properties	Image
MNX_ID	MNXM728147
reference	chebi:62738
formula	C₃₀H₄₈
global charge	0
mol weight	408.714
InChIKey	NXJJBCPAGHGVJC-LIKFLUFESA-N
InChI	InChI=1S/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9-,27-17+,28-18+,29-23+,30-24+
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9-,27-17+,28-18+,29-23+,30-24+
SMILES (mnx)	[CH3:1][C:25]([CH3:2])=[CH:15][CH2:11][CH2:19]/[C:29]([CH3:7])=[CH:23]/[CH2:13][CH2:21]/[C:27]([CH3:5])=[CH:17]/[CH:9]=[CH:10]\[CH:18]=[C:28](/[CH3:6])[CH2:22][CH2:14]/[CH:24]=[C:30](\[CH3:8])[CH2:20][CH2:12][CH:16]=[C:26]([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62738 chebi:62738 NXJJBCPAGHGVJC-LIKFLUFESA-N	15-cis-4,4'-diapophytoene (12Z)-dehydrosqualene (6E,10E,12Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene 12-cis-dehydrosqualene 12cis-dehydrosqualene Dehydrosqualene
lipidmaps:LMPR0106010044 lipidmapsM:LMPR0106010044 NXJJBCPAGHGVJC-LIKFLUFESA-N	15-cis-4,4'-Diapophytoene (6E,10E,12Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene 12-cis-dehydrosqualene
metacyc.compound:CPD-9906 metacycM:CPD-9906 NXJJBCPAGHGVJC-LIKFLUFESA-N	15-cis-4,4'-diapophytoene 15-cis-dehydrosqualene
kegg.compound:C16144 keggC:C16144 NXJJBCPAGHGVJC-LIKFLUFESA-N	4,4'-Diapophytoene 15-cis-4,4'-Diapophytoene Dehydrosqualene
vmhM:dhsql vmhmetabolite:dhsql NXJJBCPAGHGVJC-LIKFLUFESA-N	Dehydrosqualene
seed.compound:cpd14865 seedM:cpd14865 NXJJBCPAGHGVJC-LIKFLUFESA-N	Dehydrosqualene 15-cis-4,4'-diapophytoene 15-cis-dehydrosqualene 4,4'-Diapophytoene
keggC:M_C16144 seedM:M_cpd14865 vmhM:M_dhsql	secondary/obsolete/fantasy identifier