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

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Dolichol

	Properties	Image
MNX_ID	MNXM737449
reference	sabiorkM:2034
formula	C₂₅H₄₄O
global charge	0
mol weight	360.626
InChIKey	KLGBTYNAYAZPFD-QOLULZROSA-N
InChI	InChI=1S/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3/b22-13+,23-15+,24-17-
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCC(C)CCO

MNX internals

InChI (mnx)	InChI=1/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3/b22-13+,23-15+,24-17-/t25?
SMILES (mnx)	[CH3:1][C:21]([CH3:2])=[CH:11][CH2:7][CH2:12]/[C:22]([CH3:3])=[CH:13]/[CH2:8][CH2:14]/[C:23]([CH3:4])=[CH:15]/[CH2:9][CH2:16]/[C:24]([CH3:5])=[CH:17]\[CH2:10][CH2:18][CH:25]([CH3:6])[CH2:19][CH2:20][OH:26]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:2034 sabiorkM:2034 KLGBTYNAYAZPFD-QOLULZROSA-N	Dolichol
vmhM:dolichol_L vmhmetabolite:dolichol_L KLGBTYNAYAZPFD-QOLULZROSA-N	Dolichol, human liver homolog (6E,10E,14E,18E,22Z,26E,30E,34E,38E,42E,46E,50E,54E,58Z,62E,66E,70E,74E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,4
vmhM:M_dolichol_L	secondary/obsolete/fantasy identifier