CHEBI:136888 - 15,173-seco-F430-173-acid(6−)

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ChEBI Name 15,173-seco-F430-173-acid(6−)
ChEBI ID CHEBI:136888
ChEBI ASCII Name 15,17(3)-seco-F430-17(3)-acid(6-)
Definition A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of 15,173-seco-F430-173-acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C42H47N6NiO14
Net Charge -5
Average Mass 918.549
Monoisotopic Mass 917.250
InChI InChI=1S/C42H54N6O14.Ni/c1-40(17-32(43)49)23(5-9-36(55)56)30-16-42-41(2,18-33(50)48-42)24(6-10-37(57)58)29(47-42)14-27-21(11-38(59)60)19(3-7-34(51)52)25(44-27)13-26-20(4-8-35(53)54)22(12-39(61)62)28(45-26)15-31(40)46-30;/h13-14,19-24,28,30H,3-12,15-18H2,1-2H3,(H10,43,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-7/t19-,20-,21-,22-,23+,24+,28+,30-,40-,41-,42-;/m0./s1
InChIKey HHAOAZMDQIXGKF-MYQROCLPSA-G
SMILES [C@H]12[C@H]([C@@](CC(N)=O)(C)C3=[N+]1[Ni-2]45[N+]=6[C@H](C3)[C@H]([C@H](CCC([O-])=O)C6C=C7N5C(=CC8=[N+]4[C@]9(C2)[C@@]([C@@H]8CCC([O-])=O)(C)CC(N9)=O)[C@H]([C@@H]7CCC([O-])=O)CC([O-])=O)CC([O-])=O)CCC([O-])=O
ChEBI Ontology
Outgoing 15,173-seco-F430-173-acid(6−) (CHEBI:136888) is a cyclic tetrapyrrole anion (CHEBI:58941)
15,173-seco-F430-173-acid(6−) (CHEBI:136888) is a hexacarboxylic acid anion (CHEBI:59360)
15,173-seco-F430-173-acid(6−) (CHEBI:136888) is conjugate base of 15,173-seco-F430-173-acid (CHEBI:137699)
Incoming 15,173-seco-F430-173-acid (CHEBI:137699) is conjugate acid of 15,173-seco-F430-173-acid(6−) (CHEBI:136888)
Synonym Source
15,173-seco-F430-173-acid UniProt
Manual Xref Database
CPD-7592 MetaCyc
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Citations Waiting for Citations Types Sources
27846569 PubMed citation SUBMITTER
3691535 PubMed citation SUBMITTER
Last Modified
07 July 2017