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

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4,4'-diaponeurosporenoate

	Properties	Image
MNX_ID	MNXM3175
reference	chebi:79064
formula	C₃₀H₃₉O₂
global charge	-1
mol weight	431.64
InChIKey	NXJSQJIGCCIMAE-ORIYTCASSA-M
InChI	InChI=1S/C30H40O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-9,11-16,18-23H,10,17H2,1-7H3,(H,31,32)/p-1/b9-8+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+
SMILES	CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C30H40O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-9,11-16,18-23H,10,17H2,1-7H3,(H,31,32)/b9-8+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+
SMILES (mnx)	[CH3:1][C:24]([CH3:2])=[CH:14][CH2:10][CH2:17]/[C:27]([CH3:5])=[CH:20]/[CH:11]=[CH:18]/[C:25]([CH3:3])=[CH:15]/[CH:8]=[CH:9]/[CH:16]=[C:26]([CH3:4])/[CH:19]=[CH:12]/[CH:21]=[C:28]([CH3:6])/[CH:22]=[CH:13]/[CH:23]=[C:29](\[CH3:7])[C:30](=[O:31])[OH:32]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:79064 chebi:79064 NXJSQJIGCCIMAE-ORIYTCASSA-M	4,4'-diaponeurosporenoate (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate
kegg.compound:C16146 keggC:C16146 NXJSQJIGCCIMAE-ORIYTCASSA-N	4,4'-Diaponeurosporenic acid
lipidmaps:LMPR0106010041 lipidmapsM:LMPR0106010041 NXJSQJIGCCIMAE-ORIYTCASSA-N	4,4'-Diaponeurosporenic acid 2,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenoic acid
seed.compound:cpd14867 seedM:cpd14867 NXJSQJIGCCIMAE-ORIYTCASSA-M	4,4'-Diaponeurosporenic acid 4,4'-diaponeurosporenoate 4,4'-diaponeurosporenoic acid
metacyc.compound:CPD-9913 metacycM:CPD-9913 NXJSQJIGCCIMAE-ORIYTCASSA-M	4,4'-diaponeurosporenoate 4,4'-diaponeurosporenoic acid
CHEBI:83048 chebi:83048 NXJSQJIGCCIMAE-ORIYTCASSA-N	4,4'-diaponeurosporenoic acid (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoic acid 4,4'-diaponeurosporenic acid
chebi:80352 keggC:M_C16146 seedM:M_cpd14867	secondary/obsolete/fantasy identifier