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sirohydrochlorin

Properties

Image

Occurences in reactions

MNX_ID

MNXM740871

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	11

formula

C₄₂H₃₈N₄O₁₆

charge

-8

mass

854.23267

reference

chebi:58351

InChIKey

KWIZRXMMFRBUML-AHGFGAHVSA-F

InChI

InChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-8/b25-13-,29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1

SMILES

C[C@@]1(CC(=O)[O-])c2cc3[nH]c(cc4nc(cc5[nH]c(cc(n2)[C@H]1CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]5CCC(=O)[O-])C(CC(=O)[O-])=C4CCC(=O)[O-])c(CCC(=O)[O-])c3CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58351 chebi:58351	sirohydrochlorin 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate sirohydrochlorin octaanion sirohydrochlorin(8-)
bigg.metabolite:scl biggM:scl kegg.compound:C05778 keggC:C05778	Sirohydrochlorin
seed.compound:cpd03426 seedM:cpd03426	Sirohydrochlorin Precorrin scl sirohydrochlorin
CHEBI:18023 chebi:18023	sirohydrochlorin (7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrapropionic acid Sirohydrochlorin
metacyc.compound:SIROHYDROCHLORIN metacycM:SIROHYDROCHLORIN	sirohydrochlorin Precorrin
chebi:15090 chebi:26691 chebi:9167 biggM:M_scl keggC:M_C05778 seedM:M_cpd03426	secondary/obsolete/fantasy identifier