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

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Fucosterol

	Properties	Image
MNX_ID	MNXM1107487
reference	hmdb:HMDB0030021
formula	C₂₉H₄₈O
global charge	0
mol weight	412.702
InChIKey	OSELKOCHBMDKEJ-ZMRGBFEOSA-N
InChI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1
SMILES	C/C=C(\CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(C)C

MNX internals

InChI (mnx)	InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1
SMILES (mnx)	[CH3:1]/[CH:7]=[C:21](\[CH2:9][CH2:8][C@@H:20]([CH3:4])[CH:25]1[CH2:12][CH2:13][CH:26]2[CH:24]3[CH2:11][CH:10]=[C:22]4[CH2:18][C@@H:23]([OH:30])[CH2:14][CH2:16][C@:28]4([CH3:5])[CH:27]3[CH2:15][CH2:17][C@:29]12[CH3:6])[CH:19]([CH3:2])[CH3:3]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0030021 OSELKOCHBMDKEJ-ZMRGBFEOSA-N	Fucosterol (24E)-24-N-Propylidenecholesterol (24E)-Ethylidenecholesterol (2R,5S,15R)-14-[(2R,5E)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol (2R,5S,15R)-2,15-dimethyl-14-[(2R,5E)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol (3b,24E)-Stigmasta-5,24(28)-dien-3-ol (e)-24-Ethylidenecholesterol (e)-Stigmasta-5,24(28)-dien-3b-ol 24(e)-Ethylidenecholest-5-en-3beta -ol 24-Isoethylidenecholest-5-en-3 beta-ol,delta(5)-avenasterol 24Z-Ethylidenecholest-5-en-3b-ol 28-Isofucosterol Fucosterin Fucosterol, (3beta)-isomer Fucosterol, 28-(14)C-labeled CPD, (e)-isomer Stigmasta-5,24(28)-dien-3beta (e)--ol Stigmasta-5,24-dien-3 beta-ol delta(5)-Avenasterol trans-24-Ethylidenecholesterol trans-D5-Avenosterol
hmdb:HMDB30021	secondary/obsolete/fantasy identifier