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Substance Name: 2-Deoxy-2-((3R)-3-hydroxy-tetradecanamido)-3-O-(3-hydroxytetradecanyl)-4-O-phosphonoglucopyranose
RN: 139623-12-4
InChIKey: IBMWQBJFRBOMBG-ZXWHYNIOSA-N

Note

  • Analog of lipid X.

Molecular Formula

  • C34-H68-N-O11-P

Molecular Weight

  • 697.8812
 
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Names and Synonyms

Name of Substance

  • 2-Deoxy-2-((3R)-3-hydroxy-tetradecanamido)-3-O-(3-hydroxytetradecanyl)-4-O-phosphonoglucopyranose

Synonym

  • 3-Htd-phosphonoglu

Systematic Name

  • D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-3-O-(3-hydroxytetradecyl)-, 4-(dihydrogen phosphate), (2(R),3(R))-

Registry Numbers

CAS Registry Number

  • 139623-12-4

System Generated Number

  • 0139623124

Structure Descriptors

InChI

1S/C34H68NO11P/c1-3-5-7-9-11-13-15-17-19-21-28(38)23-24-45-33(34(31(40)27-37)46-47(42,43)44)30(26-36)35-32(41)25-29(39)22-20-18-16-14-12-10-8-6-4-2/h26,28-31,33-34,37-40H,3-25,27H2,1-2H3,(H,35,41)(H2,42,43,44)/t28-,29-,30+,31-,33-,34-/m1/s1

InChIKey

IBMWQBJFRBOMBG-ZXWHYNIOSA-N

Smiles

CCCCCCCCCCC[C@H](CCO[C@H]([C@H](C=O)NC(=O)C[C@@H](CCCCCCCCCCC)O)[C@@H]([C@@H](CO)O)OP(=O)(O)O)O