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Substance Name: 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)
RN: 143600-83-3
InChIKey: XAOLJGCZESYRFT-VHSKNIDJSA-N

Molecular Formula

  • C84-H154-N2-O37-P2

Molecular Weight

  • 1846.0656
 
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Names and Synonyms

Name of Substance

  • 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)

Synonyms

  • (2(R),3(R),6(2(R),3(R)))-O-3-Deoxy-alpha-D-manno-2-octulopyranosonosyl-(2-4)-O-3-deoxy-alpha-D-manno-2-octulopyranosonosyl-(2-6)-O-2-deoxy-3-O-(3-hydroxy-1-oxotetradecyl)-2-((3-hydroxy-1-oxotetradecyl)amino)-4-O-phosphono-beta-D-glucopyranosyl-(1-6)-2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-alpha-D-glucopyranose 1-(dihydrogen phosphate) 3-(3-hydroxytetradecanoate)
  • 3-Deoxy-D-manno-2-octulosonic acid(2)-lipid iva
  • Kdo(2)-lipid IV(A)

Systematic Name

  • alpha-D-Glucopyranose, O-3-deoxy-alpha-D-manno-2-octulopyranosonosyl-(2-4)-O-3-deoxy-alpha-D-manno-2-octulopyranosonosyl-(2-6)-O-2-deoxy-3-O-(3-hydroxy-1-oxotetradecyl)-2-((3-hydroxy-1-oxotetradecyl)amino)-4-O-phosphono-beta-D-glucopyranosyl-(1-6)-2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 1-(dihydrogen phosphate) 3-(3-hydroxytetradecanoate), (2(R),3(R),6(2(R),3(R)))-

Registry Numbers

CAS Registry Number

  • 143600-83-3

System Generated Number

  • 0143600833

Structure Descriptors

InChI

1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1

InChIKey

XAOLJGCZESYRFT-VHSKNIDJSA-N

Smiles

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O