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

Feedback

all-trans-neurosporene

	Properties	Image
MNX_ID	MNXM1370532
reference	chebi:16833
formula	C₄₀H₅₈
global charge	0
mol weight	538.904
InChIKey	ATCICVFRSJQYDV-XILUKMICSA-N
InChI	InChI=1S/C40H58/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/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
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)CC/C=C(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C40H58/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/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,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]/[CH:17]=[CH: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)	26
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16833 chebi:16833 ATCICVFRSJQYDV-XILUKMICSA-N	all-trans-neurosporene (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene 7,8-dihydro-psi,psi-carotene Neurosporene neurosporene
sabiork.compound:7905 sabiorkM:7905 lipidmaps:LMPR01070086 lipidmapsM:LMPR01070086 ATCICVFRSJQYDV-XILUKMICSA-N	Neurosporene
hmdb:HMDB0003114 ATCICVFRSJQYDV-XILUKMICSA-N	Neurosporene (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene 1,2-Dihydroneurosporene 7,8-Dihydro-psi,psi-carotene Neurosporin all-trans-Neurosporene neurosporene
vmhM:nsprn vmhmetabolite:nsprn ATCICVFRSJQYDV-XILUKMICSA-N	Neurosporene (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene
seed.compound:cpd03216 seedM:cpd03216 ATCICVFRSJQYDV-XILUKMICSA-N	Neurosporene 7,8-dihydro-psi,psi-carotene all-trans neurosporene all-trans-Neurosporene neurosporene
metacyc.compound:NEUROSPORENE metacycM:NEUROSPORENE ATCICVFRSJQYDV-XILUKMICSA-N	all-trans neurosporene 7,8-dihydro-psi,psi-carotene neurosporene
kegg.compound:C05431 keggC:C05431 ATCICVFRSJQYDV-XILUKMICSA-N	all-trans-Neurosporene
hmdb:HMDB03114 chebi:14643 chebi:25511 chebi:7541 keggC:M_C05431 seedM:M_cpd03216 vmhM:M_nsprn	secondary/obsolete/fantasy identifier