Curvopeptin-6 (CHEBI:222633)

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CHEBI:222633 - Curvopeptin-6

ChEBI ID	CHEBI:222633
ChEBI Name	Curvopeptin-6
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C122H182N26O33S2
Net Charge	0
Average Mass	2605.081
Monoisotopic Mass	2603.28040
SMILES	C=C1NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(N)Cc2ccc(O)cc2)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/C122H182N26O33S2/c1-60(2)39-76(122(180)181)49-94(151)90-56-182-58-92(118(176)133-70(18)105(163)139-87(48-74-31-25-22-26-32-74)109(167)131-71(19)106(164)148-100(72(20)149)120(178)144-82(41-62(5)6)110(168)134-77(52-125-90)40-61(3)4)147-121(179)101(159)81(47-73-29-23-21-24-30-73)137-108(166)80(33-27-28-38-123)136-116(174)89(51-99(157)158)143-119(177)93-59-183-57-91(145-113(171)86(45-66(13)14)142-115(173)88(50-98(155)156)135-97(154)55-127-95(152)53-126-96(153)54-128-107(165)79(124)46-75-34-36-78(150)37-35-75)117(175)132-68(16)103(161)129-67(15)102(160)130-69(17)104(162)138-83(42-63(7)8)111(169)140-84(43-64(9)10)112(170)141-85(44-65(11)12)114(172)146-93/h21-26,29-32,34-37,60-67,70,72,76-77,79-93,100,125,149-150H,16-17,19,27-28,33,38-59,123-124H2,1-15,18,20H3,(H,126,153)(H,127,152)(H,128,165)(H,129,161)(H,130,160)(H,131,167)(H,132,175)(H,133,176)(H,134,168)(H,135,154)(H,136,174)(H,137,166)(H,138,162)(H,139,163)(H,140,169)(H,141,170)(H,142,173)(H,143,177)(H,144,178)(H,145,171)(H,146,172)(H,147,179)(H,148,164)(H,155,156)(H,157,158)(H,180,181)
InChIKey	FYDIGNARRXKELX-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-6 (CHEBI:222633) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[2-[24-[[3-[[6-amino-2-[[2-[[[24-[[2-[[2-[[2-[[2-[[2-[[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]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-[[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]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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