Chem
J-GLOBAL ID:200907090026114500
Nikkaji number:J2.496.996G
2-[[(R)-3-Hydroxystearoyl]amino]-6-O-[2-[(R)-3-(stearoyloxy)stearoyl]-2-deoxy-β-D-glucopyranosyl]-2-deoxy-α-D-glucopyranose 1-phosphoric acid
2-[[(R)-3-ヒドロキシステアロイル]アミノ]-6-O-[2-[(R)-3-(ステアロイルオキシ)ステアロイル]-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-α-D-グルコピラノース1-りん酸
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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:
C66 H126 NO17 P
Molecular formula furigana:
C66-H126-N-O17-P
Molecular weight:
1236.698
InChI:
InChI=1S/C66H126NO17P/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-58(72)81-53(46-43-40-37-34-31-28-24-21-18-15-12-9-6-3)49-54(70)59-63(75)61(73)55(50-68)82-65(59)80-51-56-62(74)64(76)60(66(83-56)84-85(77,78)79)67-57(71)48-52(69)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h52-53,55-56,59-66,68-69,73-76H,4-51H2,1-3H3,(H,67,71)(H2,77,78,79)/t52-,53-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1
InChI key:
ANULIABTLKBBPF-NXTAAQSRSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCCCC)CC(=O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCCCCCC)[C@@H](O)[C@@H]1O
Systematic name (3):
2-[[(R)-3-ヒドロキシステアロイル]アミノ]-6-O-[2-[(R)-3-(ステアロイルオキシ)ステアロイル]-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-α-D-グルコピラノース1-りん酸
{[(2R,3R,4R,5S,6R)-6-({[(2R,3R,4R,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-[(3R)-3-(オクタデカノイルオキシ)オクタデカノイル]オキサン-2-イル]オキシ}メチル)-4,5-ジヒドロキシ-3-[(3R)-3-ヒドロキシオクタデカンアミド]オキサン-2-イル]オキシ}ホスホン酸
{[(2R,3R,4R,5S,6R)-6-({[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R)-3-(octadecanoyloxy)octadecanoyl]oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-[(3R)-3-hydroxyoctadecanamido]oxan-2-yl]oxy}phosphonic acid
Other name (1):
2-[[(R)-3-Hydroxystearoyl]amino]-6-O-[2-[(R)-3-(stearoyloxy)stearoyl]-2-deoxy-β-D-glucopyranosyl]-2-deoxy-α-D-glucopyranose 1-phosphoric acid
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