squalene

Chemical Formula:

C₃₀H₅₀

Molecular Weight:

410.725 Daltons

Monoisotopic Mass:

410.391251605 Daltons

SMILES:

CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C

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+

InChIKey:

YYGNTYWPHWGJRM-AAJYLUCBSA-N

Synonyms

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Spinacene
Supraene

Databases

MetaCyc: SQUALENE

RefMet: Squalene

PubChem (CID): 638072 5280370

MetaboLights: MTBLC15440

HMDB: HMDB00256

LIPID MAPS: LMPR0106010002

ChEBI: 15440

KEGG: C00751

CAS: 111-02-4

PupChem (SID): 4013

CHEMBL: CHEMBL458402

LIPIDBANK: SST0122

KNApSAcK: C00003755

PDB-CCD: SQL

3DMET: B00166

NIKKAJI: J5.103I

Reactome: 191269

Seed: cpd00559

MetaNetX: MNXM292