CHEBI:86226 - lipid IIA(2−)

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ChEBI Name lipid IIA(2−)
ChEBI ID CHEBI:86226
ChEBI ASCII Name lipid IIA(2-)
Definition The lipid oxoanion formed from lipid IIA by deprotonation of the phosphate hydroxy groups and protonation of the amino group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C73H137N3O26P2
Net Charge -2
Average Mass 1534.82200
Monoisotopic Mass 1533.89765
InChI InChI=1S/C73H139N3O26P2/c1-5-9-13-17-21-25-29-33-37-41-52(78)45-59(82)75-63-69(98-61(84)47-54(80)43-39-35-31-27-23-19-15-11-7-3)66(87)58(97-72(63)101-104(92,93)102-73-67(88)65(86)56(74)50-94-73)51-95-71-64(76-60(83)46-53(79)42-38-34-30-26-22-18-14-10-6-2)70(68(57(49-77)96-71)100-103(89,90)91)99-62(85)48-55(81)44-40-36-32-28-24-20-16-12-8-4/h52-58,63-73,77-81,86-88H,5-51,74H2,1-4H3,(H,75,82)(H,76,83)(H,92,93)(H2,89,90,91)/p-2/t52-,53-,54-,55-,56+,57-,58-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1
InChIKey TYGQMXOPLFWYPM-ISFHUDAKSA-L
SMILES CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP([O-])(=O)O[C@H]2OC[C@H]([NH3+])[C@H](O)[C@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP([O-])([O-])=O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
ChEBI Ontology
Outgoing lipid IIA(2−) (CHEBI:86226) is a lipid A oxoanion (CHEBI:60086)
lipid IIA(2−) (CHEBI:86226) is conjugate acid of lipid IIA(3−) (CHEBI:61734)
lipid IIA(2−) (CHEBI:86226) is conjugate base of lipid IIA (CHEBI:61735)
Incoming lipid IIA (CHEBI:61735) is conjugate acid of lipid IIA(2−) (CHEBI:86226)
lipid IIA(3−) (CHEBI:61734) is conjugate base of lipid IIA(2−) (CHEBI:86226)
IUPAC Name
4-azaniumyl-4-deoxy-β-L-arabinopyranosyl 2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-α-D-glucopyranosyl phosphate
Synonym Source
lipid IIA UniProt
Manual Xref Database
CPD-13350 MetaCyc
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Last Modified
08 July 2015