Chem
J-GLOBAL ID:200907011391115003
Nikkaji number:J2.763.701I
6-Carboxyhex-2-enoyl-CoA
2,3-ジデヒドロピメロイル-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 H44 N7 O19 P3 S
Molecular formula furigana:
C28-H44-N7-O19-P3-S
Molecular weight:
907.670
InChI:
InChI=1S/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23?,27-/m1/s1
InChI key:
JLSPXYVUFSDGNY-AMIBDLERSA-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)C=CCCCC(=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-(6-カルボキシ-2-ヘキセノイルチオ)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}-7-オキソヘプタ-5-エン酸
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}-7-oxohept-5-enoic acid
Other name (5):
Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(6-carboxy-2-hexenoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
6-Carboxyhex-2-enoyl-CoA
2,3-Didehydro-pimeloyl-CoA
6-カルボキシ-2-エノイル-CoA
2,3-ジデヒドロピメロイル-CoA
Thsaurus map:
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