Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID006539
Phytochemical name: Sodium pangamate
Synonymous chemical names:pangamic acid
External chemical identifiers:CID:CID_45934202, FDASRS:7M7487Z3L6
Chemical structure information
SMILES:
O[C@@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)COC(=O)CN(C)C.[Na+]InChI:
InChI=1S/C10H19NO8.Na/c1-11(2)3-6(13)19-4-5(12)7(14)8(15)9(16)10(17)18;/h5,7-9,12,14-16H,3-4H2,1-2H3,(H,17,18);/q;+1/p-1/t5-,7-,8+,9-;/m1./s1InChIKey:
MKVDFFROCUECAJ-CKDSBIORSA-MDeepSMILES:
O[C@@H][C@H][C@@H][C@H]C=O)[O-]))O))O))O))COC=O)CNC)C.[Na+]Functional groups:
CO, CC(=O)[O-], COC(C)=O, CN(C)C, [Na+]
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic acids and derivativesClassyFire Class: Carboxylic acids and derivatives
ClassyFire Subclass: Amino acids, peptides, and analogues
NP-Likeness score: 0.5
Chemical structure download
