CDP-ethanolamine

Chemical Formula:

C₁₁H₁₉N₄O₁₁P₂

Molecular Weight:

445.239 Daltons

Monoisotopic Mass:

447.068205558 Daltons

SMILES:

C(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)[N+]

InChI:

1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/p-1/t6-,8-,9-,10-/m1/s1

InChIKey:

WVIMUEUQJFPNDK-PEBGCTIMSA-M

Synonyms

cytidine diphosphate ethanolamine

Databases

MetaCyc: CDP-ETHANOLAMINE

RefMet: CDP-Ethanolamine

MetaboLights: MTBLC57876

HMDB: HMDB01564

ChEBI: 57876 16732

PubChem (CID): 25202847 123727

KEGG: C00570

CAS: 3036-18-8

Reactome: 1500603

Seed: cpd00444

MetaNetX: MNXM449

PupChem (SID): 3849

3DMET: B01288

NIKKAJI: J14.936E