tylosin

Chemical Formula:

C₄₆H₇₈NO₁₇

Molecular Weight:

917.119 Daltons

Monoisotopic Mass:

916.5269750847 Daltons

SMILES:

CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC3(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(O)3))COC4(OC(C(O)C(OC)C(OC)4)C))

InChI:

1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/p+1/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1

InChIKey:

WBPYTXDJUQJLPQ-VMXQISHHSA-O

Synonyms

tylosin A

Databases

MetaCyc: TYLOSIN

ChEBI: 77047

PubChem (CID): 72715817

MetaboLights: MTBLC17658

HMDB: HMDB34108

LIPID MAPS: LMPK04000004

Wikipedia: Tylosin

KEGG: C01457

CAS: 1401-69-0

Seed: cpd01036

MetaNetX: MNXM4859