Chemical Compound

3-[(17Z)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)-18-(3-oxido-3-oxopropyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+)

CAS Registry Number 18535-39-2
3-[(17Z)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)-18-(3-oxido-3-oxopropyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+) 结构式
Primary record

3-[(17Z)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)-18-(3-oxido-3-oxopropyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+)

库存
3,919 克
纯度
98.4 %
CAS
18535-39-2

化合物标识与属性

CAS
18535-39-2
PubChem CID
5489981
SMILES
[H+].[H+].CC1=C(C2=CC3=C(/C(=C/[O-])/C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CCCC(C)CCCC(C)CCCC(C)C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Fe+2]
Canonical SMILES
C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)[O-])/C4=C/[O-])C=c4[n-]c(c(C)c4CCC(=O)[O-])=CC1=N2)C(C)=C3C(O)CCCC(C)CCCC(C)CCCC(C)C.[Fe+2].[H+].[H+]

名称与同义词

  • heme a
  • Heme a3
  • AC1NURIP
  • SCHEMBL29423954
  • CID5489981
  • 18535-39-2
  • 3-[(17Z)-18-(2-carboxylatoethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate;hydron;iron(2+)
  • 3-[(17Z)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)-18-(3-oxido-3-oxopropyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+)
  • Ferrate(2-), (7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen