CHEBI:185245 - 6-Amino-4-hydroxy-3-[(e)-2-{7-sulfO-4-[(e)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-2,7-disulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-Amino-4-hydroxy-3-[(e)-2-{7-sulfO-4-[(e)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-2,7-disulfonic acid
ChEBI ID CHEBI:185245
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H19N5O13S4
Net Charge 0
Average Mass 737.700
Monoisotopic Mass 736.98622
InChI InChI=1S/C26H19N5O13S4/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/b29-28+,31-30+
InChIKey DUUHLAZWLLCPSP-DUJDKOHPSA-N
SMILES S(O)(=O)(=O)C1=CC=2C(C(O)=C1/N=N/C3=C4C(=C(/N=N/C5=CC=C(S(O)(=O)=O)C=C5)C=C3)C=CC(S(O)(=O)=O)=C4)=CC(N)=C(S(O)(=O)=O)C2
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Amino-4-hydroxy-3-[(e)-2-{7-sulfO-4-[(e)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-2,7-disulfonic acid (CHEBI:185245) is a naphthalenesulfonic acid (CHEBI:36336)
IUPAC Name
6-amino-4-hydroxy-3-[[7-sulo-4-[(4-sulophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulonic acid