CHEBI:87245 - lipid IIB

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ChEBI Name lipid IIB
ChEBI ID CHEBI:87245
ChEBI ASCII Name lipid IIB
Definition A member of the class of lipid As that is lipid IIA in which one of the free OH groups on the two N-hydroxytetradecanoyl groups is carrying a palimitoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C89H169N3O27P2
Net Charge 0
Average Mass 1775.24560
Monoisotopic Mass 1774.14187
InChI InChI=1S/C89H169N3O27P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-76(99)112-70(58-53-48-43-38-30-25-20-15-10-5)63-75(98)92-79-85(115-77(100)61-68(95)56-51-46-41-36-28-23-18-13-8-3)82(103)73(114-88(79)118-121(108,109)119-89-83(104)81(102)71(90)65-110-89)66-111-87-80(91-74(97)60-67(94)55-50-45-40-35-27-22-17-12-7-2)86(84(72(64-93)113-87)117-120(105,106)107)116-78(101)62-69(96)57-52-47-42-37-29-24-19-14-9-4/h67-73,79-89,93-96,102-104H,6-66,90H2,1-5H3,(H,91,97)(H,92,98)(H,108,109)(H2,105,106,107)/t67-,68-,69-,70-,71+,72-,73-,79-,80-,81+,82-,83-,84-,85-,86-,87-,88-,89-/m1/s1
InChIKey KQPSNVBCBKBYRA-MVRMDACESA-N
SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP(O)(=O)O[C@H]2OC[C@H](N)[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 IIB (CHEBI:87245) has functional parent lipid IIA (CHEBI:61735)
lipid IIB (CHEBI:87245) is a lipid As (CHEBI:25051)
lipid IIB (CHEBI:87245) is conjugate acid of lipid IIB(2−) (CHEBI:87058)
Incoming lipid IIB(2−) (CHEBI:87058) is conjugate base of lipid IIB (CHEBI:87245)
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-phosphono-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-(hexadecanoyloxy)tetradecanoyl]amino}-α-D-glucopyranosyl hydrogen phosphate
Manual Xref Database
CPD-17524 MetaCyc
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Last Modified
31 July 2015