Oscillatorin (CHEBI:200541)

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CHEBI:200541 - Oscillatorin

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ChEBI ID	CHEBI:200541
ChEBI Name	Oscillatorin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C60H85N15O14
Net Charge	0
Average Mass	1240.431
Monoisotopic Mass	1239.64004
SMILES	CC(C)=CCC12CC3C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N3C1Nc1ccccc12
InChI	InChI=1S/C60H85N15O14/c1-31(2)21-22-60-28-44-55(87)73-49(33(5)6)57(89)74-24-10-14-43(74)54(86)71-41(27-45(61)77)53(85)70-39(19-20-48(80)81)52(84)69-38(13-9-23-64-59(62)63)50(82)65-29-46(78)67-40(26-34-15-17-35(76)18-16-34)51(83)66-30-47(79)68-42(25-32(3)4)56(88)75(44)58(60)72-37-12-8-7-11-36(37)60/h7-8,11-12,15-18,21,32-33,38-44,49,58,72,76H,9-10,13-14,19-20,22-30H2,1-6H3,(H2,61,77)(H,65,82)(H,66,83)(H,67,78)(H,68,79)(H,69,84)(H,70,85)(H,71,86)(H,73,87)(H,80,81)(H4,62,63,64)/t38-,39-,40-,41-,42-,43-,44?,49-,58?,60?/m0/s1
InChIKey	VMYFCWSHTOSIJD-QYABUWCPSA-N

Species of Metabolite	Component	Source	Comments
Planktothrix agardhii (ncbitaxon:1160)	-	DOI (10.1016/0040-4039(96)01501-8)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Oscillatorin (CHEBI:200541) is a oligopeptide (CHEBI:25676)

IUPAC Name
3-[(4S,10S,13S,16S,19S,25S,31S)-13-(2-amino-2-oxoethyl)-19-[3-(diaminomethylideneamino)propyl]-25-[(4-hydroxyphenyl)methyl]-42-(3-methylbut-2-enyl)-31-(2-methylpropyl)-2,5,11,14,17,20,23,26,29,32-decaoxo-4-propan-2-yl-3,6,12,15,18,21,24,27,30,33,35-undecazapentacyclo[31.10.0.06,10.034,42.036,41]tritetraconta-36,38,40-trien-16-yl]propanoic acid

Manual Xrefs	Databases
8209907	ChemSpider