Curvopeptin-5 (CHEBI:203161)

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CHEBI:203161 - Curvopeptin-5

ChEBI ID	CHEBI:203161
ChEBI Name	Curvopeptin-5
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C113H173N25O31S2
Net Charge	0
Average Mass	2441.905
Monoisotopic Mass	2440.21708
SMILES	C=C1NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)CNC(=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/C113H173N25O31S2/c1-55(2)35-70(113(168)169)44-86(140)82-51-170-53-84(109(164)123-65(18)97(152)129-79(43-69-31-25-22-26-32-69)100(155)121-66(19)98(153)138-92(67(20)139)111(166)134-74(37-57(5)6)101(156)124-71(48-116-82)36-56(3)4)137-112(167)93(148)73(42-68-29-23-21-24-30-68)127-99(154)72(33-27-28-34-114)126-107(162)81(46-91(146)147)133-110(165)85-54-171-52-83(135-104(159)78(41-61(13)14)132-106(161)80(45-90(144)145)125-89(143)50-118-88(142)49-117-87(141)47-115)108(163)122-63(16)95(150)119-62(15)94(149)120-64(17)96(151)128-75(38-58(7)8)102(157)130-76(39-59(9)10)103(158)131-77(40-60(11)12)105(160)136-85/h21-26,29-32,55-62,65,67,70-85,92,116,139H,16-17,19,27-28,33-54,114-115H2,1-15,18,20H3,(H,117,141)(H,118,142)(H,119,150)(H,120,149)(H,121,155)(H,122,163)(H,123,164)(H,124,156)(H,125,143)(H,126,162)(H,127,154)(H,128,151)(H,129,152)(H,130,157)(H,131,158)(H,132,161)(H,133,165)(H,134,166)(H,135,159)(H,136,160)(H,137,167)(H,138,153)(H,144,145)(H,146,147)(H,168,169)
InChIKey	SEXSCYXNSYPMAA-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-5 (CHEBI:203161) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[24-[[3-[[6-amino-2-[[2-[[[24-[[2-[[2-[[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxyethylidene]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-[[2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxyethylidene]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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