trypanothione disulfide(1+) (CHEBI:58661)

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CHEBI:58661 - trypanothione disulfide(1+)

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ChEBI ID	CHEBI:58661
ChEBI Name	trypanothione disulfide(1+)
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Definition	Conjugate acid of trypanothione disulfide.
Last Modified	13 November 2017
Downloads	Molfile

Formula	C27H48N9O10S2
Net Charge	+1
Average Mass	722.868
Monoisotopic Mass	722.29601
SMILES	[NH3+][C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)NCCC[NH2+]CCCCNC(=O)CNC1=O)C(=O)[O-]
InChI	InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/p+1/t16-,17-,18-,19-/m0/s1
InChIKey	LZMSXDHGHZKXJD-VJANTYMQSA-O

ChEBI Ontology

Outgoing Relation(s)
	trypanothione disulfide(1+) (CHEBI:58661) is a ammonium ion derivative (CHEBI:35274)
	trypanothione disulfide(1+) (CHEBI:58661) is conjugate acid of trypanothione disulfide (CHEBI:35490)
Incoming Relation(s)
	trypanothione disulfide (CHEBI:35490) is conjugate base of trypanothione disulfide(1+) (CHEBI:58661)

IUPAC Name
(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,18,21-tetraaza-13-azoniacyclotetracosane-4,23-diyl]diimino}bis(2-azaniumyl-5-oxopentanoate)

Synonym	Source
trypanothione disulfide cation	ChEBI

UniProt Name	Source
trypanothione disulfide	UniProt