Chem
J-GLOBAL ID:200907075099021381   Nikkaji number:J2.069.064J

(2S)-1-O,2-O-Dipalmitoyl-3-O-(6-sulfo-6-deoxy-α-D-glucopyranosyl)glycerol

(2S)-1-O,2-O-ジパルミトイル-3-O-(6-スルホ-6-デオキシ-α-D-グルコピラノシル)グリセロール
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: C41H78O12S
Molecular formula furigana: C41-H78-O12-S
Molecular weight: 795.120
InChI: InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41+/m1/s1
InChI key: RVUUQPKXGDTQPG-JUDHQOGESA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3):
  • (2S)-1-O,2-O-ジパルミトイル-3-O-(6-スルホ-6-デオキシ-α-D-グルコピラノシル)グリセロール
  • [(2S,3S,4S,5R,6S)-6-[(2S)-2,3-ビス(ヘキサデカノイルオキシ)プロポキシ]-3,4,5-トリヒドロキシオキサン-2-イル]メタンスルホン酸
  • [(2S,3S,4S,5R,6S)-6-[(2S)-2,3-bis(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
Other name (1):
  • (2S)-1-O,2-O-Dipalmitoyl-3-O-(6-sulfo-6-deoxy-α-D-glucopyranosyl)glycerol
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