Chem
J-GLOBAL ID:200907093708706416
Nikkaji number:J2.763.604G
3-Hydroxypimelyl-CoA
3-ヒドロキシピメリル-CoA
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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:
C28 H46 N7 O20 P3 S
Molecular formula furigana:
C28-H46-N7-O20-P3-S
Molecular weight:
925.690
InChI:
InChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t15?,16-,21-,22-,23?,27-/m1/s1
InChI key:
VGEBXBQECGWCRH-PUEFWPISSA-N
SMILES:
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCC(=O)O
Systematic name (3):
アデノシン3′-りん酸5′-[二りん酸P2 -[2,2-ジメチル-3-ヒドロキシ-3-[[2-[[2-(3,7-ジヒドロキシ-7-オキソヘプタノイルチオ)エチル]アミノカルボニル]エチル]アミノカルボニル]プロピル]]
7-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-3-(ホスホノオキシ)オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)メチル]-2-ヒドロキシ-3-メチルブタンアミド}プロパンアミド)エチル]スルファニル}-5-ヒドロキシ-7-オキソヘプタン酸
7-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-5-hydroxy-7-oxoheptanoic acid
Other name (5):
Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3,7-dihydroxy-7-oxoheptanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
3-Hydroxypimeloyl-CoA
3-Hydroxypimelyl-CoA
3-ヒドロキシピメロイル-CoA
3-ヒドロキシピメリル-CoA
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