Curvopeptin-2 (CHEBI:225949)

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CHEBI:225949 - Curvopeptin-2

ChEBI ID	CHEBI:225949
ChEBI Name	Curvopeptin-2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C107H164N22O28S2
Net Charge	0
Average Mass	2270.749
Monoisotopic Mass	2269.15268
SMILES	C=C1NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(N)CC(=O)O)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/C107H164N22O28S2/c1-52(2)35-67(107(156)157)44-83(131)79-48-158-50-81(103(152)115-62(18)91(140)120-77(43-66-31-25-22-26-32-66)95(144)113-63(19)92(141)129-86(64(20)130)105(154)125-72(37-54(5)6)96(145)116-68(47-110-79)36-53(3)4)128-106(155)87(136)71(42-65-29-23-21-24-30-65)118-94(143)70(33-27-28-34-108)117-101(150)78(46-85(134)135)124-104(153)82-51-159-49-80(126-99(148)74(39-56(9)10)121-93(142)69(109)45-84(132)133)102(151)114-60(16)89(138)111-59(15)88(137)112-61(17)90(139)119-73(38-55(7)8)97(146)122-75(40-57(11)12)98(147)123-76(41-58(13)14)100(149)127-82/h21-26,29-32,52-59,62,64,67-82,86,110,130H,16-17,19,27-28,33-51,108-109H2,1-15,18,20H3,(H,111,138)(H,112,137)(H,113,144)(H,114,151)(H,115,152)(H,116,145)(H,117,150)(H,118,143)(H,119,139)(H,120,140)(H,121,142)(H,122,146)(H,123,147)(H,124,153)(H,125,154)(H,126,148)(H,127,149)(H,128,155)(H,129,141)(H,132,133)(H,134,135)(H,156,157)
InChIKey	SBROJWBCVJGPCH-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-2 (CHEBI:225949) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[24-[[3-[[6-amino-2-[[2-[[24-[[2-[(2-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-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

Manual Xrefs	Databases
78444835	ChemSpider