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

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beta-zeacarotene

MNXM3549 is deprecated and here replaced by MNXM734701
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM734701
reference	chebi:27533
formula	C₄₀H₅₈
global charge	0
mol weight	538.904
InChIKey	MICBIPJWKDDGNL-FILYMEKXSA-N
InChI	InChI=1S/C40H58/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/h11-12,14,16,18-20,22-25,27,29-30H,13,15,17,21,26,28,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

MNX internals

InChI (mnx)	InChI=1/C40H58/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/h11-12,14,16,18-20,22-25,27,29-30H,13,15,17,21,26,28,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
SMILES (mnx)	[CH3:1][C:32]([CH3:2])=[CH:18][CH2:13][CH2:21]/[C:35]([CH3:5])=[CH:24]/[CH2:15][CH2:26]/[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:39]1=[C:38]([CH3:8])[CH2:28][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)	9
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27533 chebi:27533 MICBIPJWKDDGNL-FILYMEKXSA-N	beta-zeacarotene 7',8'-dihydro-beta,psi-carotene beta-Zeacarotene
kegg.compound:C05434 keggC:C05434 lipidmaps:LMPR01070259 lipidmapsM:LMPR01070259 MICBIPJWKDDGNL-FILYMEKXSA-N	beta-Zeacarotene
seed.compound:cpd03219 seedM:cpd03219 MICBIPJWKDDGNL-FILYMEKXSA-N	beta-Zeacarotene 7',8'-dihydro-beta,psi-carotene 7',8'-dihydro-gamma-carotene beta-zeacarotene
metacyc.compound:CPD-7419 metacycM:CPD-7419 MICBIPJWKDDGNL-FILYMEKXSA-N	beta-zeacarotene 7',8'-dihydro-beta,psi-carotene 7',8'-dihydro-gamma-carotene
chebi:10449 chebi:22856 keggC:M_C05434 seedM:M_cpd03219	secondary/obsolete/fantasy identifier