Chem
J-GLOBAL ID：200907038592867971
Nikkaji number：J1.063.044D
KM-043
1-O-(6-スルホ-6-デオキシ-α-D-グルコピラノシル)-2-O-パルミトイル-3-O-[(5E,8E,11E,14E,17E)-1-オキソ-5,8,11,14,17-イコサペンタエニル]-L-グリセロール
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
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
Molecular formula： C45H76O12S
Molecular formula furigana： C45-H76-O12-S
Molecular weight： 841.150
InChI：
InChI=1S/C45H76O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(57-45)37-58(51,52)53)56-41(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,25,27,38-39,42-45,48-50H,3-4,6,8-10,12,14-16,19,21,23-24,26,28-37H2,1-2H3,(H,51,52,53)/b7-5+,13-11+,18-17+,22-20+,27-25+/t38-,39+,42+,43-,44+,45-/m0/s1
InChI key：
IIDPUWZBYVLQEU-VFYXPVQNSA-N
SMILES：
CCCCCCCCCCCCCCCC(=O)O[C@H](CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Systematic name (3)：
- 1-O-(6-スルホ-6-デオキシ-α-D-グルコピラノシル)-2-O-パルミトイル-3-O-[(5E,8E,11E,14E,17E)-1-オキソ-5,8,11,14,17-イコサペンタエニル]-L-グリセロール
- [(2S,3S,4S,5R,6S)-6-[(2R)-2-(ヘキサデカノイルオキシ)-3-[(5E,8E,11E,14E,17E)-イコサ-5,8,11,14,17-ペンタエノイルオキシ]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-[(2R)-2-(hexadecanoyloxy)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
- 1-O-(6-Sulfo-6-deoxy-α-D-glucopyranosyl)-2-O-palmitoyl-3-O-[(5E,8E,11E,14E,17E)-1-oxo-5,8,11,14,17-icosapentenyl]-L-glycerol
- KM-043
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