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

Feedback

delta-Carotene

MNXM48982 is deprecated and here replaced by MNXM737154
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM737154
reference	keggC:C08586
formula	C₄₀H₅₆
global charge	0
mol weight	536.888
InChIKey	WGIYGODPCLMGQH-GOXCNPTKSA-N
InChI	InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
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=C/[C@H]1C(C)=CCCC1(C)C

MNX internals

InChI (mnx)	InChI=1/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
SMILES (mnx)	[CH3:1][C:32]([CH3:2])=[CH:18][CH2:13][CH2:21]/[C:35]([CH3:5])=[CH:24]/[CH:15]=[CH:26]/[C:36]([CH3:6])=[CH:25]/[CH:14]=[CH:22]/[C:33]([CH3:3])=[CH:19]/[CH:11]=[CH:12]/[CH:20]=[C:34]([CH3:4])/[CH:23]=[CH:16]/[CH:27]=[C:37]([CH3:7])/[CH:29]=[CH:30]/[C@H:39]1[C:38]([CH3:8])=[CH:28][CH2:17][CH2:31][C:40]1([CH3:9])[CH3:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C08586 keggC:C08586 WGIYGODPCLMGQH-GOXCNPTKSA-N	delta-Carotene
hmdb:HMDB0036925 WGIYGODPCLMGQH-GOXCNPTKSA-N	delta-Carotene (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,5,5-trimethylcyclohex-1-ene (6R)-all-trans-delta-Carotene (6R)-all-trans-delta-carotene (6R)-delta-Carotene (6R)-delta-carotene (6R)-epsilon,Psi-carotene (6R)-epsilon,psi-carotene all-trans-delta-Carotene all-trans-delta-carotene delta-carotene epsilon,Psi-carotene epsilon,psi-carotene
lipidmaps:LMPR01070266 lipidmapsM:LMPR01070266 WGIYGODPCLMGQH-GOXCNPTKSA-N	delta-Carotene (6R)-epsilon,psi-Carotene
seed.compound:cpd05493 seedM:cpd05493 WGIYGODPCLMGQH-GOXCNPTKSA-N	delta-Carotene delta-carotene epsilon,psi-carotene
metacyc.compound:CPD1F-115 metacycM:CPD1F-115 CHEBI:27705 chebi:27705 WGIYGODPCLMGQH-BXOLYSJBSA-N WGIYGODPCLMGQH-GOXCNPTKSA-N	delta-carotene epsilon,psi-carotene
hmdb:HMDB36925 chebi:10538 chebi:23606 keggC:M_C08586 seedM:M_cpd05493	secondary/obsolete/fantasy identifier