Cypemycin (CHEBI:223760)

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CHEBI:223760 - Cypemycin

ChEBI ID	CHEBI:223760
ChEBI Name	Cypemycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C99H154N24O24S
Net Charge	0
Average Mass	2096.532
Monoisotopic Mass	2095.12885
SMILES	C/C=C(\NC(=O)C(CO)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(NC(=O)/C(=C/C)NC(=O)C1CCCN1C(=O)/C(=C\C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)/C(=C\C)NC(=O)C(C)N(C)C)C(C)C)C(C)C)C(C)CC)C(=O)NC(C(=O)NC1CS/C=C\NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC1=O)C(C)CC
InChI	InChI=1S/C99H154N24O24S/c1-22-54(15)78(97(145)115-69-49-148-44-41-102-93(141)75(51(9)10)116-87(135)66(45-50(7)8)113-90(69)138)119-85(133)60(24-3)107-89(137)68(48-124)106-74(127)47-103-83(131)64(37-39-72(100)125)112-96(144)79(55(16)23-2)120-95(143)77(53(13)14)118-88(136)67(46-59-33-29-28-30-34-59)114-86(134)65(38-40-73(101)126)111-81(129)57(18)105-94(142)76(52(11)12)117-84(132)61(25-4)108-92(140)71-36-32-43-123(71)98(146)62(26-5)109-80(128)56(17)104-91(139)70-35-31-42-122(70)99(147)63(27-6)110-82(130)58(19)121(20)21/h24-30,33-34,41,44,50-58,64-71,75-79,124H,22-23,31-32,35-40,42-43,45-49H2,1-21H3,(H2,100,125)(H2,101,126)(H,102,141)(H,103,131)(H,104,139)(H,105,142)(H,106,127)(H,107,137)(H,108,140)(H,109,128)(H,110,130)(H,111,129)(H,112,144)(H,113,138)(H,114,134)(H,115,145)(H,116,135)(H,117,132)(H,118,136)(H,119,133)(H,120,143)/b44-41-,60-24-,61-25-,62-26+,63-27+
InChIKey	TYVRUMCYJWCOOO-RKEGDLLCSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies OH-4156 (ncbitaxon:932694)	-	PubMed (7802859)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Cypemycin (CHEBI:223760) is a polypeptide (CHEBI:15841)

IUPAC Name
N-[1-[[1-[[1-[[5-amino-1-[[2-[[3-hydroxy-1-[[(Z)-1-[[3-methyl-1-[[(2Z)-9-(2-methylpropyl)-5,8,11-trioxo-6-propan-2-yl-1-thia-4,7,10-triazacyclotridec-2-en-12-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[2-[[2-[[(Z)-2-[[1-[(E)-2-[2-[[1-[(E)-2-[2-(dimethylamino)propanoylamino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]but-2-enoyl]amino]-3-methylbutanoyl]amino]propanoylamino]pentanediamide

IUPAC Name

N-[1-[[1-[[1-[[5-amino-1-[[2-[[3-hydroxy-1-[[(Z)-1-[[3-methyl-1-[[(2Z)-9-(2-methylpropyl)-5,8,11-trioxo-6-propan-2-yl-1-thia-4,7,10-triazacyclotridec-2-en-12-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[2-[[2-[[(Z)-2-[[1-[(E)-2-[2-[[1-[(E)-2-[2-(dimethylamino)propanoylamino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]but-2-enoyl]amino]-3-methylbutanoyl]amino]propanoylamino]pentanediamide

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