7-dehydrocholesterol

Chemical Formula:

C₂₇H₄₄O

Molecular Weight:

384.644 Daltons

Monoisotopic Mass:

384.3392160345 Daltons

SMILES:

CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C4))))

InChI:

1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1

InChIKey:

UCTLRSWJYQTBFZ-DDPQNLDTSA-N

Synonyms

cholesta-5,7-dien-3 β-ol
cholesta-5,7-dienol
7-dehydro-cholesterol
cholesta-5,7-dien-3β-ol
provitamin D₃

Databases

MetaCyc: CPD-4187

PubChem (CID): 439423

ChEBI: 17759

HMDB: HMDB00032

KEGG: C01164

CAS: 434-16-2

RefMet: 7-Dehydrocholesterol 7-dehydrocholesterol

Seed: cpd00857

MetaNetX: MNXM710

PupChem (SID): 4391

CHEMBL: CHEMBL1797131

LIPID MAPS: LMST01010069

LIPIDBANK: SST0007

KNApSAcK: C00023747

NIKKAJI: J60.101B