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Substance Name: A 503
RN: 134404-00-5
InChIKey: PGLGZCRDMQJGFS-UHFFFAOYSA-N

Molecular Formula

  • C77-H142-N-O27-P

Molecular Weight

  • 1544.92
 
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Names and Synonyms

Name of Substance

  • A 503

Synonyms

  • A-503
  • Heptose-alpha1-5-2-keto-3-deoxyoctonic acid-alpha1-6-2,3-di-(3-tetradecanoyloxytetradecanoyl)glucosamine-4-phosphate
  • Heptose-kdo-glcn-4-P

Systematic Name

  • D-Glucose, O-L-glycero-alpha-D-manno-heptopyranosyl-(1-5)-O-3-deoxy-alpha-D-manno-2-octulopyranosyl-(2-6)-2-deoxy-2-((1-oxo-3-((1-oxatetradecyl)oxy)tetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxotetradecyl)oxy)tetradecanoate), (2(R),3(R))-

Registry Numbers

CAS Registry Number

  • 134404-00-5

System Generated Number

  • 0134404005

Structure Descriptors

InChI

1S/C77H142NO27P/c1-5-9-13-17-21-25-27-31-35-39-43-47-64(87)99-56(45-41-37-33-29-23-19-15-11-7-3)49-63(86)78-58(52-79)70(101-66(89)50-57(46-42-38-34-30-24-20-16-12-8-4)100-65(88)48-44-40-36-32-28-26-22-18-14-10-6-2)74(105-106(95,96)97)62(85)55-98-77(76(93)94)51-59(82)72(73(104-77)61(84)54-81)103-75-69(92)67(90)68(91)71(102-75)60(83)53-80/h52,56-62,67-75,80-85,90-92H,5-51,53-55H2,1-4H3,(H,78,86)(H,93,94)(H2,95,96,97)

InChIKey

PGLGZCRDMQJGFS-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1[C@@H](CO)O)O)O)O)O[C@@H]1[C@@H](C[C@@](O[C@@H]1[C@@H](CO)O)(OC[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](OC(C[C@@H](OC(CCCCCCCCCCCCC)=O)CCCCCCCCCCC)=O)[C@@H](NC(C[C@@H](OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)=O)C=O)C(=O)O)O