FK-506

Chemical Formula:

C₄₄H₆₉NO₁₂

Molecular Weight:

804.029 Daltons

Monoisotopic Mass:

803.4819766853 Daltons

SMILES:

C=CCC3(C(=O)CC(O)C(C(C(C)=CC1(CCC(O)C(OC)C1))OC(=O)C2(CCCCN2C(=O)C(=O)C4(O)(OC(C(OC)CC(C)CC(C)=C3)C(OC)CC(C)4)))C)

InChI:

1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+

InChIKey:

QJJXYPPXXYFBGM-FWWCNTFXSA-N

Synonyms

tacrolimus
Prograf
Advagraf
Fujimycin
Protopic
Protopy
LCP-Tacro
Ambap5429
BSPBio-001279

Databases

MetaCyc: CPD-10016

MetaboLights: MTBLC61049

HMDB: HMDB15002

DRUGBANK: DB00864

ChEBI: 61049

ChemSpider: 5020238

PubChem (CID): 6536850

KEGG: C01375

Seed: cpd00990

MetaNetX: MNXM83250