Salivaricin P (CHEBI:221301)

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CHEBI:221301 - Salivaricin P

ChEBI ID	CHEBI:221301
ChEBI Name	Salivaricin P
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C85H129N29O24S
Net Charge	0
Average Mass	1973.213
Monoisotopic Mass	1971.94860
SMILES	CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@H](C(=O)NCC=O)C(C)C
InChI	InChI=1S/C85H129N29O24S/c1-8-44(6)71(84(138)114-69(42(2)3)82(136)93-24-25-115)112-68(125)38-97-72(126)45(7)103-64(121)35-101-77(131)60(40-139)111-79(133)56(28-48-32-92-41-102-48)110-83(137)70(43(4)5)113-81(135)55(27-47-31-95-52-16-10-9-14-50(47)52)109-78(132)53(17-13-23-94-85(90)91)107-80(134)58(30-62(89)119)105-67(124)37-100-76(130)59(39-116)106-65(122)34-96-63(120)33-98-74(128)54(26-46-18-20-49(117)21-19-46)104-66(123)36-99-75(129)57(29-61(88)118)108-73(127)51(87)15-11-12-22-86/h9-10,14,16,18-21,25,31-32,41-45,51,53-60,69-71,95,116-117,139H,8,11-13,15,17,22-24,26-30,33-40,86-87H2,1-7H3,(H2,88,118)(H2,89,119)(H,92,102)(H,93,136)(H,96,120)(H,97,126)(H,98,128)(H,99,129)(H,100,130)(H,101,131)(H,103,121)(H,104,123)(H,105,124)(H,106,122)(H,107,134)(H,108,127)(H,109,132)(H,110,137)(H,111,133)(H,112,125)(H,113,135)(H,114,138)(H4,90,91,94)/t44-,45-,51-,53-,54-,55-,56-,57-,58-,59-,60-,69-,70-,71-/m0/s1
InChIKey	PMLDSUSBRKQBNO-LFXXSCORSA-N

Species of Metabolite	Component	Source	Comments
Ligilactobacillus salivarius (ncbitaxon:1624)	-	PubMed (17416691)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Salivaricin P (CHEBI:221301) is a polypeptide (CHEBI:15841)

IUPAC Name
(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-N-[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2R)-1-[[2-[[(2S)-1-[[2-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-(2-oxoethylamino)butan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]butanediamide

IUPAC Name

(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-N-[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2R)-1-[[2-[[(2S)-1-[[2-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-(2-oxoethylamino)butan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]butanediamide

Manual Xrefs	Databases
78439947	ChemSpider