Chem
J-GLOBAL ID:200907045955035090
Nikkaji number:J2.731.084B
L-Citramalyl-CoA
L-シトラマリル-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:
C26 H42 N7 O20 P3 S
Molecular formula furigana:
C26-H42-N7-O20-P3-S
Molecular weight:
897.630
InChI:
InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19?,23-,26+/m1/s1
InChI key:
XYGOWHUIVNMEIA-SJFLJTINSA-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[C@](C)(O)C(=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-[[(3S)-3-カルボキシ-3-ヒドロキシブチリル]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]]
(2S)-4-{[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}-2-ヒドロキシ-2-メチル-4-オキソブタン酸
(2S)-4-{[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}-2-hydroxy-2-methyl-4-oxobutanoic acid
Other name (5):
Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(3S)-3-carboxy-3-hydroxybutyryl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
(3S)-Citramalyl-CoA
L-Citramalyl-CoA
L-シトラマリル-CoA
(3S)-シトラマリル-CoA
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