mupirocin P

Chemical Formula:

C₂₆H₄₁O₁₀

Molecular Weight:

513.604 Daltons

Monoisotopic Mass:

514.2777975692 Daltons

SMILES:

CC(=CC(OCCCCCCCCC([O-])=O)=O)C[CH]2(C(=O)C(O)C(O)(CC1(OC(C(C(C)O)C)1))CO2)

InChI:

1S/C26H42O10/c1-16(13-22(30)34-11-9-7-5-4-6-8-10-21(28)29)12-19-23(31)25(32)26(33,15-35-19)14-20-24(36-20)17(2)18(3)27/h13,17-20,24-25,27,32-33H,4-12,14-15H2,1-3H3,(H,28,29)/p-1/b16-13+/t17-,18-,19-,20?,24?,25-,26+/m0/s1

InChIKey:

NETKPOCGEWTYQU-NLTVMMARSA-M

Synonyms

(2E)-4-[(2S,4R,5R)-4,5-dihydroxy-5-({3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)-3-oxooxan-2-yl]-3-methylbut-2-enoate

Databases

MetaCyc: CPD-21469

PubChem (CID): 134820465