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CHEBI:87107 - 7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA(6−)

ChEBI IDCHEBI:87107
ChEBI Name7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA(6−)
Stars
ASCII Name7-O-[(2-aminoethyl)phosphoryl]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA(6-)
DefinitionA lipid IVA oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of 7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA; major species at pH 7.3.
Last Modified8 September 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC86H154N3O40P3
Net Charge-6
Average Mass1963.081
Monoisotopic Mass1961.93544
SMILES[H][C@]1([C@@H](CO)OP(=O)([O-])OCC[NH3+])O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]4O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]3OP(=O)([O-])[O-])(C(=O)[O-])O[C@]([H])([C@H](O)CO)[C@@H]2O)(C(=O)[O-])C[C@@H](O)[C@H]1O
InChIInChI=1S/C86H160N3O40P3/c1-5-9-13-17-21-25-29-33-37-41-57(92)47-67(98)88-71-79(122-69(100)49-59(94)43-39-35-31-27-23-19-15-11-7-3)75(104)65(120-82(71)129-131(112,113)114)55-117-81-72(89-68(99)48-58(93)42-38-34-30-26-22-18-14-10-6-2)80(123-70(101)50-60(95)44-40-36-32-28-24-20-16-12-8-4)78(128-130(109,110)111)66(121-81)56-118-85(83(105)106)52-63(74(103)76(125-85)62(97)53-90)124-86(84(107)108)51-61(96)73(102)77(126-86)64(54-91)127-132(115,116)119-46-45-87/h57-66,71-82,90-97,102-104H,5-56,87H2,1-4H3,(H,88,98)(H,89,99)(H,105,106)(H,107,108)(H,115,116)(H2,109,110,111)(H2,112,113,114)/p-6/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,85-,86-/m1/s1
InChIKeyKRXYYUZJVIKNHD-FSGBJRFRSA-H
ChEBI Ontology
Outgoing Relation(s)
7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA(6−) (CHEBI:87107) is a lipid IVA oxoanion (CHEBI:60373)
7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA(6−) (CHEBI:87107) is conjugate base of 7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA (CHEBI:87415)
Incoming Relation(s)
7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA (CHEBI:87415) is conjugate acid of 7-O-[(2-aminoethyl)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA(6−) (CHEBI:87107)
IUPAC Name 
7-O-[(2-azaniumylethoxy)phosphinato]-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-β-D-glucopyranosyl-(1→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-α-D-glucopyranose
UniProt Name  Source
7-O-[2-aminoethoxy(hydroxy)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA (E. coli)UniProt
Manual XrefsDatabases
PHOSPHATIDYLETHANOLAMINE-KDO2MetaCyc