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Lactoyl-CoA Triclocarban 133-53-9 88-04-0 β-Fructofuranosidase
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  2. 188824-37-5

188824-37-5

（name: Coenzyme A,S-(9Z)-9-octadecenoate, monolithium salt (9CI)）
188824-37-5
Product Name：Coenzyme A,S-(9Z)-9-octadecenoate, monolithium salt (9CI)
CAS No：188824-37-5
MF：C39H68N7O17P3S.LI
MW：1031.98032
CID：115416
PubChem ID：117072678

Related Compounds

Names and Identifiers

  • Coenzyme A,S-(9Z)-9-octadecenoate, monolithium salt (9CI)
  • cis-9-Octadecenoyl coenzyme A
  • OLEOYL COENZYME A, LITHIUM
  • oleoyl coenzyme a lithium salt
  • OLEOYL COENZYME A (C18:1) LITHIUM SALT
  • CIS-9-OCTADECENOYL COENZYME A LITHIUM SALT
  • coenzyme A oleoyl derivative (C18:1), lithium salt
  • 188824-37-5
  • tetralithium
  • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(Z)-octadec-9-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate
  • cis-9-octadecenoyl coenzyme a lithium salt
  • cis-9-Octadecenoyl coenzyme A
  • Oleoyl coenzyme A lithium salt
  • Oleoyl coenzyme a,lithium
  • DA-56419
  • DA-56419
  • InChIKey：XDUHQPOXLUAVEE-VAWYXSNFSA-N
  • 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+
  • SMILES：CCCCCCCC/C=C/CCCCCCCC(SCCNC(CCNC(C(C(COP(OP(OCC1OC(N2C=NC3=C(N=CN=C23)N)C(O)C1OP(=O)(O)O)(O)=O)(O)=O)(C)C)O)=O)=O)=O

Chemical and Physical Properties

Computed Properties

  • 精确分子量: 1031.36094
  • 氢键供体数量: 5
  • 氢键受体数量: 22
  • 可旋转化学键数量: 34
  • 同位素质量: 1055.393
  • 重原子数量: 71
  • 复杂度: 1680
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 5
  • 不确定原子立构中心数量: 0
  • 确定化学键立构中心数量: 1
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 5
  • 拓扑分子极性表面积: 400A^2

Experimental Properties

  • LogP: 7.58540
  • PSA: 363.63
Security Information
  • WGK Germany：3
  • 危险品运输编号：NONH for all modes of transport
  • 储存条件：−20°C

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    • 188824-37-5
    • 188824-37-5
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    (CAS:188824-37-5)Coenzyme A,S-(9Z)-9-octadecenoate, monolithium salt (9CI)
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