Chem
J-GLOBAL ID：200907058578218422   Nikkaji number：J2.502.112F

16-Oxo-16-[(carboxymethyl)amino]-2-(sulfooxy)-6-hexadecenoic acid

15-[(カルボキシメチル)カルバモイル]-2-(スルホオキシ)ペンタデカ-6-エン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H31NO9S
Molecular formula furigana： C18-H31-N-O9-S
Molecular weight： 437.500
InChI： InChI=1S/C18H31NO9S/c20-16(19-14-17(21)22)13-11-9-7-5-3-1-2-4-6-8-10-12-15(18(23)24)28-29(25,26)27/h4,6,15H,1-3,5,7-14H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26,27)
InChI key： IUABOQMFDKEVNZ-UHFFFAOYSA-N
SMILES： OC(=O)CNC(=O)CCCCCCCCC=CCCCC(OS(=O)(=O)O)C(=O)O
Systematic name  (4)：
  • 16-オキソ-16-[(カルボキシメチル)アミノ]-2-(スルホオキシ)-6-ヘキサデセン酸
  • 2-(ヒドロキシスルホニルオキシ)-16-オキソ-16-(2-オキソ-2-ヒドロキシエチルアミノ)-6-ヘキサデセン酸
  • 15-[(カルボキシメチル)カルバモイル]-2-(スルホオキシ)ペンタデカ-6-エン酸
  • 15-[(carboxymethyl)carbamoyl]-2-(sulfooxy)pentadec-6-enoic acid
Other name (2)：
  • 16-Oxo-16-[(carboxymethyl)amino]-2-(sulfooxy)-6-hexadecenoic acid
  • 2-(Hydroxysulfonyloxy)-16-oxo-16-(2-oxo-2-hydroxyethylamino)-6-hexadecenoic acid
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