CMP-3-deoxy-β-D-manno-octulosonate

Chemical Formula:

C₁₇H₂₄N₃O₁₅P

Molecular Weight:

541.361 Daltons

Monoisotopic Mass:

543.1101536917 Daltons

SMILES:

C(O)C(O)[CH]3(OC(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)(C([O-])=O)CC(C3O)O)

InChI:

1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/p-2/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1

InChIKey:

YWWJKULNWGRYAS-XKKDATLGSA-L

Synonyms

CMP-2-dehydro-3-deoxy-D-octonate
CMP-β-Kdo
CMP-ketodeoxyoctonate

Databases

MetaCyc: CMP-KDO

ChEBI: 59825

PubChem (CID): 46878557

BiGG: ckdo

KEGG: C04121

Seed: cpd02546

MetaNetX: MNXM535