Chem
J-GLOBAL ID:200907012692551590
Nikkaji number:J203.108F
Oleoyl CoA
オレオイル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:
C39 H68 N7 O17 P3 S
Molecular formula furigana:
C39-H68-N7-O17-P3-S
Molecular weight:
1031.990
InChI:
InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1
InChI key:
XDUHQPOXLUAVEE-BPMMELMSSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Systematic name (4):
アデノシン3′-りん酸5′-[二りん酸P2 -[(R)-3-ヒドロキシ-4-[[3-[[2-[(Z)-9-オクタデセノイルチオ]エチル]アミノ]-3-オキソプロピル]アミノ]-2,2-ジメチル-4-オキソブチル]]
S-オレオイル補酵素A
{[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-2-({[ヒドロキシ({ヒドロキシ[(3R)-3-ヒドロキシ-2,2-ジメチル-3-{[2-({2-[(9Z)-オクタデカ-9-エノイルスルファニル]エチル}カルバモイル)エチル]カルバモイル}プロポキシ]ホスホリル}オキシ)ホスホリル]オキシ}メチル)オキソラン-3-イル]オキシ}ホスホン酸
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (11):
CAS registry number:
1716-06-9
Regulation number (1):
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