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15-cis-4,4'-diapophytoene

Properties

Image

Occurences in reactions

MNX_ID

MNXM728147

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	4

formula

C₃₀H₄₈

charge

mass

408.714

reference

chebi:62738

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

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62738 chebi:62738	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
metacyc.compound:CPD-9906 metacycM:CPD-9906	15-cis-4,4'-diapophytoene 15-cis-dehydrosqualene
kegg.compound:C16144 keggC:C16144	4,4'-Diapophytoene 15-cis-4,4'-Diapophytoene Dehydrosqualene
vmhM:dhsql vmhmetabolite:dhsql	Dehydrosqualene
seed.compound:cpd14865 seedM:cpd14865	Dehydrosqualene 15-cis-4,4'-diapophytoene 15-cis-dehydrosqualene 4,4'-Diapophytoene
keggC:M_C16144 seedM:M_cpd14865	secondary/obsolete/fantasy identifier