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CHEBI:58603 - lipid IVA(4−)

Default Structure
ChEBI IDCHEBI:58603
ChEBI Namelipid IVA(4−)
Stars
ASCII Namelipid IVA(4-)
DefinitionTetraanion of lipid IVA.
Last Modified18 April 2017
DownloadsMolfile
FormulaC68H126N2O23P2
Net Charge-4
Average Mass1401.695
Monoisotopic Mass1400.82486
SMILESCCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[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]2O)O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/p-4/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1
InChIKeyKVJWZTLXIROHIL-QDORLFPLSA-J
ChEBI Ontology
Outgoing Relation(s)
lipid IVA(4−) (CHEBI:58603) is a a lipid IVA(4−) (CHEBI:176425)
lipid IVA(4−) (CHEBI:58603) is a lipid IVA oxoanion (CHEBI:60373)
lipid IVA(4−) (CHEBI:58603) is conjugate base of lipid IVA (CHEBI:29056)
Incoming Relation(s)
lipid IVA (CHEBI:29056) is conjugate acid of lipid IVA(4−) (CHEBI:58603)
IUPAC Name 
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphonato-α-D-glucopyranose
UniProt Name  Source
lipid IVA (E. coli)UniProt