ergosterol

Chemical Formula:

C₂₈H₄₄O

Molecular Weight:

396.655 Daltons

Monoisotopic Mass:

396.3392160345 Daltons

SMILES:

CC(C)C(C)C=CC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1

InChIKey:

DNVPQKQSNYMLRS-APGDWVJJSA-N

Synonyms

provitamin D2

Databases

MetaCyc: ERGOSTEROL

RefMet: Ergosterol

PubChem (CID): 444679

MetaboLights: MTBLC16933

HMDB: HMDB00878

LIPID MAPS: LMST01030093

DRUGBANK: DB04038

ChEBI: 16933

ChemSpider: 10477914

CAS: 57-87-4

KEGG: C01694

Seed: cpd01170

MetaNetX: MNXM922