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Substance Name: A 113
RN: 149118-02-5
InChIKey: BAVUZJNXMVFZBJ-QOANJGGGSA-N

Molecular Weight

  • 1132.58
 
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Names and Synonyms

Name of Substance

  • A 113

Synonyms

  • 2,3-(3-Tetradecanoyloxytetradecanoyl)galactosamine-4-phosphate
  • 2,3-(C14-O-C14)Galactosamine-4-phosphate
  • A-113

Systematic Name

  • D-Galactose, 2-deoxy-2-((1-oxo-3-((1-oxotetradecyl)oxy)tetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxotetradecyl)oxy)tetradecanoate), (2(R),3(R))-

Registry Numbers

CAS Registry Number

  • 149118-02-5

System Generated Number

  • 0149118025

Structure Descriptors

InChI

1S/C62H118NO14P/c1-5-9-13-17-21-25-27-31-35-39-43-47-58(68)74-53(45-41-37-33-29-23-19-15-11-7-3)49-57(67)63-55(51-64)61(62(56(66)52-65)77-78(71,72)73)76-60(70)50-54(46-42-38-34-30-24-20-16-12-8-4)75-59(69)48-44-40-36-32-28-26-22-18-14-10-6-2/h51,53-56,61-62,65-66H,5-50,52H2,1-4H3,(H,63,67)(H2,71,72,73)/t53-,54-,55+,56-,61?,62+/m1/s1

InChIKey

BAVUZJNXMVFZBJ-QOANJGGGSA-N

Smiles

O=C(CCCCCCCCCCCCC)O[C@@H](CC(N[C@@H](C=O)[C@@H](OC(C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)=O)[C@@H](OP(=O)(O)O)[C@H](O)CO)=O)CCCCCCCCCCC