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squalene

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104376

	#reac
in my sandbox	0
in MNXref (generic)	38
in models (compartimentalized)	21

formula

C₃₀H₅₀

charge

mass

410.39125

reference

chebi:15440

InChIKey

YYGNTYWPHWGJRM-AAJYLUCBSA-N

InChI

InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+

SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-191269 reactomeM:R-ALL-191269 CHEBI:15440 chebi:15440	squalene (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene Spinacene Squalene Supraene
bigg.metabolite:sql biggM:sql	Squalene
hmdb:HMDB0000256	Squalene (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (E,E,E,E)-Squalene (all-e)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene Spinacene Supraene all-trans-Squalene squalene trans-Squalene
sabiork.compound:5212 sabiorkM:5212 kegg.compound:C00751 keggC:C00751	Squalene Spinacene Supraene
lipidmaps:LMPR0106010002 lipidmapsM:LMPR0106010002	Squalene Squalene
seed.compound:cpd00559 seedM:cpd00559	Supraene Spinacene Squalene sql squalene
metacyc.compound:SQUALENE metacycM:SQUALENE SLM:000000309 slm:000000309	squalene
hmdb:HMDB00256 chebi:10795 chebi:10843 chebi:15104 chebi:26746 chebi:9245 biggM:M_sql keggC:M_C00751 seedM:M_cpd00559	secondary/obsolete/fantasy identifier