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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > transition element molecular entity > nickel group molecular entity > nickel molecular entity > nickel coordination entity > nickel-sirohydrochlorin a,c-diamide
... > chemical entity > molecular entity > transition element molecular entity > d-block molecular entity > nickel group molecular entity > nickel molecular entity > nickel coordination entity > nickel-sirohydrochlorin a,c-diamide
... > organic aromatic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > porphyrins > metalloporphyrin > nickel-sirohydrochlorin a,c-diamide
... > organic heterocyclic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > porphyrins > metalloporphyrin > nickel-sirohydrochlorin a,c-diamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > porphyrins > metalloporphyrin > nickel-sirohydrochlorin a,c-diamide
... > organic heterocyclic compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > porphyrins > metalloporphyrin > nickel-sirohydrochlorin a,c-diamide
... > organic aromatic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > metalloporphyrin > nickel-sirohydrochlorin a,c-diamide
... > organic heterocyclic compound > heteroarene > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > metalloporphyrin > nickel-sirohydrochlorin a,c-diamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > metalloporphyrin > nickel-sirohydrochlorin a,c-diamide
... > organic heterocyclic compound > organonitrogen heterocyclic compound > polypyrrole > tetrapyrrole > cyclic tetrapyrrole > metallotetrapyrrole > metalloporphyrin > nickel-sirohydrochlorin a,c-diamide

Preferred term

nickel-sirohydrochlorin a,c-diamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C42H46N6NiO14

has_functional_parent

inchi

  • InChI=1S/C42H48N6O14.Ni/c1-41(17-33(43)49)23(5-9-37(55)56)29-14-27-21(11-39(59)60)19(3-7-35(51)52)25(45-27)13-26-20(4-8-36(53)54)22(12-40(61)62)28(46-26)15-31-42(2,18-34(44)50)24(6-10-38(57)58)30(48-31)16-32(41)47-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H12,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1

inchikey

  • RIGHEWUFSUWNMM-QIISWYHFSA-L

is_conjugate_acid_of

mass

  • 917.541

monoisotopicmass

  • 916.24254

smiles

  • C=12[C@H]([C@@](CC(N)=O)(C)C=3[N+]1[Ni-2]45N6C(C3)=C(C(CCC(O)=O)=C6C=C7[N+]5=C(C=C8N4C(=C2)[C@]([C@@H]8CCC(O)=O)(CC(N)=O)C)C(=C7CCC(O)=O)CC(O)=O)CC(O)=O)CCC(O)=O

subset

  • 3_STAR

synonym EXACT

  • {3,3',3'',3'''-[(7S,8S,12S,13S)-8,13-bis(2-amino-2-oxoethyl)-3,17-bis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetra(propanoato)(2-)}nickel

synonym RELATED

  • Ni-sirohydrochlorin a,c-diamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137696

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