3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate; ethanedioate; hexadecanoate; octadecanoate; (E)-octadec-9-enoate; 2-oxidanylbenzoate; 2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoate; nitrate; phosphate

Systemtic Name: 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate; ethanedioate; hexadecanoate; octadecanoate; (E)-octadec-9-enoate; 2-oxidanylbenzoate; 2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoate; nitrate; phosphate Openeye Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate; hexadecanoate; 2-hydroxybenzoate; octadecanoate; (E)-octadec-9-enoate; oxalate; 2,3,4,5-tetrahydroxy-6-oxo-hexanoate; nitrate; phosphate CAS Name: 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoate; hexadecanoate; 2-hydroxybenzoate; octadecanoate; (E)-9-octadecenoate; oxalate; 2,3,4,5-tetrahydroxy-6-oxohexanoate; nitrate; phosphate IUPAC Name: 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate; hexadecanoate; 2-hydroxybenzoate; octadecanoate; (E)-octadec-9-enoate; oxalate; 2,3,4,5-tetrahydroxy-6-oxohexanoate; nitrate; phosphate Traditional Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionate; (E)-octadec-9-enoate; oxalate; palmitate; salicylate; stearate; 2,3,4,5-tetrahydroxy-6-keto-hexanoate; nitrate; phosphate Formula: C76H129N2O32P-12 MolecularWeight: 1613.805421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.C(=O)(C(=O)[O-])[O-].[N+](=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.C(=O)(C(=O)[O-])[O-].[N+](=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C18H36O2.C18H34O2.C16H32O2.C9H17NO5.C7H6O3.C6H10O7.C2H2O4.NO3.H3O4P/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;8-6-4-2-1-3-5(6)7(9)10;7-1-2(8)3(9)4(10)5(11)6(12)13;3-1(4)2(5)6;2-1(3)4;1-5(2,3)4/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1-4,8H,(H,9,10);1-5,8-11H,(H,12,13);(H,3,4)(H,5,6);;(H3,1,2,3,4)/q;;;;;;;-1;/p-11/b;10-9+;;;;;;;