Enterolysin A (CHEBI:216235)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216235 - Enterolysin A

ChEBI ID	CHEBI:216235
ChEBI Name	Enterolysin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C75H137N17O19S
Net Charge	0
Average Mass	1613.088
Monoisotopic Mass	1611.99974
SMILES	CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC)C(C)C
InChI	InChI=1S/C75H137N17O19S/c1-20-43(16)59(90-68(103)52(33-55(78)95)82-64(99)47(25-23-24-27-76)80-62(97)46(77)26-28-112-19)73(108)85-50(31-39(8)9)65(100)81-49(30-38(6)7)66(101)86-53(35-93)69(104)91-60(44(17)21-2)72(107)83-48(29-37(4)5)63(98)79-34-56(96)88-57(41(12)13)71(106)84-51(32-40(10)11)67(102)87-54(36-94)70(105)92-61(45(18)22-3)74(109)89-58(42(14)15)75(110)111/h37-54,57-61,93-94H,20-36,76-77H2,1-19H3,(H2,78,95)(H,79,98)(H,80,97)(H,81,100)(H,82,99)(H,83,107)(H,84,106)(H,85,108)(H,86,101)(H,87,102)(H,88,96)(H,89,109)(H,90,103)(H,91,104)(H,92,105)(H,110,111)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-,60-,61-/m0/s1
InChIKey	BVAJGKKEPGGEID-GPPRCLEMSA-N

Species of Metabolite	Component	Source	Comments
Enterococcus faecalis (ncbitaxon:1351)	-	PubMed (12732574)

Roles Classification

Chemical Role:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Enterolysin A (CHEBI:216235) is a polypeptide (CHEBI:15841)

IUPAC Name
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid

IUPAC Name

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid

Manual Xrefs	Databases
78439935	ChemSpider