Curvopeptin-4 (CHEBI:226573)

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CHEBI:226573 - Curvopeptin-4

ChEBI ID	CHEBI:226573
ChEBI Name	Curvopeptin-4
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C111H170N24O30S2
Net Charge	0
Average Mass	2384.853
Monoisotopic Mass	2383.19561
SMILES	C=C1NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)CNC(=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/C111H170N24O30S2/c1-54(2)35-69(111(164)165)44-85(137)81-50-166-52-83(107(160)120-64(18)95(148)126-78(43-68-31-25-22-26-32-68)98(151)118-65(19)96(149)135-90(66(20)136)109(162)131-73(37-56(5)6)99(152)121-70(48-114-81)36-55(3)4)134-110(163)91(144)72(42-67-29-23-21-24-30-67)124-97(150)71(33-27-28-34-112)123-105(158)80(46-89(142)143)130-108(161)84-53-167-51-82(132-102(155)77(41-60(13)14)129-104(157)79(45-88(140)141)122-87(139)49-115-86(138)47-113)106(159)119-62(16)93(146)116-61(15)92(145)117-63(17)94(147)125-74(38-57(7)8)100(153)127-75(39-58(9)10)101(154)128-76(40-59(11)12)103(156)133-84/h21-26,29-32,54-61,64,66,69-84,90,114,136H,16-17,19,27-28,33-53,112-113H2,1-15,18,20H3,(H,115,138)(H,116,146)(H,117,145)(H,118,151)(H,119,159)(H,120,160)(H,121,152)(H,122,139)(H,123,158)(H,124,150)(H,125,147)(H,126,148)(H,127,153)(H,128,154)(H,129,157)(H,130,161)(H,131,162)(H,132,155)(H,133,156)(H,134,163)(H,135,149)(H,140,141)(H,142,143)(H,164,165)
InChIKey	NHQNFPXMNAJIFJ-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-4 (CHEBI:226573) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[24-[[3-[[6-amino-2-[[2-[[24-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-18-methyl-15,21-dimethylidene-6,9,12-tris(2-methylpropyl)-5,8,11,14,17,20,23-heptaoxo-1-thia-4,7,10,13,16,19,22-heptazacyclopentacosane-3-carbonyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-2-oxo-4-phenylbutanoyl]amino]-18-benzyl-12-(1-hydroxyethyl)-21-methyl-15-methylidene-6,9-bis(2-methylpropyl)-8,11,14,17,20,23-hexaoxo-1-thia-4,7,10,13,16,19,22-heptazacyclopentacos-3-yl]-2-oxoethyl]-4-methylpentanoic acid

IUPAC Name

2-[2-[24-[[3-[[6-amino-2-[[2-[[24-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-18-methyl-15,21-dimethylidene-6,9,12-tris(2-methylpropyl)-5,8,11,14,17,20,23-heptaoxo-1-thia-4,7,10,13,16,19,22-heptazacyclopentacosane-3-carbonyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-2-oxo-4-phenylbutanoyl]amino]-18-benzyl-12-(1-hydroxyethyl)-21-methyl-15-methylidene-6,9-bis(2-methylpropyl)-8,11,14,17,20,23-hexaoxo-1-thia-4,7,10,13,16,19,22-heptazacyclopentacos-3-yl]-2-oxoethyl]-4-methylpentanoic acid

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78444837	ChemSpider