Curvopeptin-3 (CHEBI:214357)

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CHEBI:214357 - Curvopeptin-3

ChEBI ID	CHEBI:214357
ChEBI Name	Curvopeptin-3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C109H167N23O29S2
Net Charge	0
Average Mass	2327.801
Monoisotopic Mass	2326.17415
SMILES	C=C1NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)CN)CSCC(C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CSCC(C(=O)CC(CC(C)C)C(=O)O)NCC(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(=C)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC2=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(=C)NC(=O)C(C)NC1=O
InChI	InChI=1S/C109H167N23O29S2/c1-53(2)35-68(109(160)161)44-84(134)80-49-162-51-82(105(156)117-63(18)93(144)123-77(43-67-31-25-22-26-32-67)96(147)115-64(19)94(145)132-88(65(20)133)107(158)128-72(37-55(5)6)97(148)118-69(48-112-80)36-54(3)4)131-108(159)89(140)71(42-66-29-23-21-24-30-66)121-95(146)70(33-27-28-34-110)120-103(154)79(46-87(138)139)127-106(157)83-52-163-50-81(129-100(151)76(41-59(13)14)126-102(153)78(45-86(136)137)119-85(135)47-111)104(155)116-61(16)91(142)113-60(15)90(141)114-62(17)92(143)122-73(38-56(7)8)98(149)124-74(39-57(9)10)99(150)125-75(40-58(11)12)101(152)130-83/h21-26,29-32,53-60,63,65,68-83,88,112,133H,16-17,19,27-28,33-52,110-111H2,1-15,18,20H3,(H,113,142)(H,114,141)(H,115,147)(H,116,155)(H,117,156)(H,118,148)(H,119,135)(H,120,154)(H,121,146)(H,122,143)(H,123,144)(H,124,149)(H,125,150)(H,126,153)(H,127,157)(H,128,158)(H,129,151)(H,130,152)(H,131,159)(H,132,145)(H,136,137)(H,138,139)(H,160,161)
InChIKey	HKLNUHNYFDXFFR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Thermomonospora curvata (ncbitaxon:2020)	-	PubMed (22907786)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Curvopeptin-3 (CHEBI:214357) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[24-[[3-[[6-amino-2-[[2-[[[24-[[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5,8,11,14,17,20,23-heptahydroxy-18-methyl-15,21-dimethylidene-6,9,12-tris(2-methylpropyl)-1-thia-4,7,10,13,16,19,22-heptazacyclopentacosa-4,7,10,13,16,19,22-heptaen-3-yl]-hydroxymethylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-2-oxo-4-phenylbutanoyl]amino]-18-benzyl-8,11,14,17,20,23-hexahydroxy-12-(1-hydroxyethyl)-21-methyl-15-methylidene-6,9-bis(2-methylpropyl)-1-thia-4,7,10,13,16,19,22-heptazacyclopentacosa-7,10,13,16,19,22-hexaen-3-yl]-2-oxoethyl]-4-methylpentanoic acid

IUPAC Name

2-[2-[24-[[3-[[6-amino-2-[[2-[[[24-[[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5,8,11,14,17,20,23-heptahydroxy-18-methyl-15,21-dimethylidene-6,9,12-tris(2-methylpropyl)-1-thia-4,7,10,13,16,19,22-heptazacyclopentacosa-4,7,10,13,16,19,22-heptaen-3-yl]-hydroxymethylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-2-oxo-4-phenylbutanoyl]amino]-18-benzyl-8,11,14,17,20,23-hexahydroxy-12-(1-hydroxyethyl)-21-methyl-15-methylidene-6,9-bis(2-methylpropyl)-1-thia-4,7,10,13,16,19,22-heptazacyclopentacosa-7,10,13,16,19,22-hexaen-3-yl]-2-oxoethyl]-4-methylpentanoic acid

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