Microviridin L (CHEBI:213434)

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CHEBI:213434 - Microviridin L

ChEBI ID	CHEBI:213434
ChEBI Name	Microviridin L
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C84H98N16O24
Net Charge	0
Average Mass	1715.796
Monoisotopic Mass	1714.69399
SMILES	CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)NC(=O)[C@H]3CCC(=O)OC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccc(O)cc4)NC2=O)C(=O)N[C@@H](CC(=O)O[C@H]1C)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N3
InChI	InChI=1S/C84H98N16O24/c1-44-72(99-69(107)42-87-68(106)41-88-73(110)58(89-45(2)101)34-47-17-23-51(102)24-18-47)82(119)95-59(33-46-11-4-3-5-12-46)76(113)90-56-15-8-9-31-85-67(105)38-61(78(115)97-64(84(121)122)36-49-21-27-53(104)28-22-49)93-75(112)57-29-30-70(108)123-43-65(98-81(118)66-16-10-32-100(66)83(120)63(96-74(56)111)35-48-19-25-52(103)26-20-48)80(117)94-62(39-71(109)124-44)79(116)92-60(77(114)91-57)37-50-40-86-55-14-7-6-13-54(50)55/h3-7,11-14,17-28,40,44,56-66,72,86,102-104H,8-10,15-16,29-39,41-43H2,1-2H3,(H,85,105)(H,87,106)(H,88,110)(H,89,101)(H,90,113)(H,91,114)(H,92,116)(H,93,112)(H,94,117)(H,95,119)(H,96,111)(H,97,115)(H,98,118)(H,99,107)(H,121,122)/t44-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-/m0/s1
InChIKey	WLHHUMSPNLZREI-WLNUAIIISA-N

Species of Metabolite	Component	Source	Comments
Microcystis (ncbitaxon:1125)	-	PubMed (20363789)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Microviridin L (CHEBI:213434) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(1S,4S,10S,13S,19R,22S,25S,29S,30S,33S,43S)-30-[[2-[[2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-33-benzyl-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decazatetracyclo[17.16.10.213,25.06,10]heptatetracontane-43-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

IUPAC Name

(2S)-2-[[(1S,4S,10S,13S,19R,22S,25S,29S,30S,33S,43S)-30-[[2-[[2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-33-benzyl-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decazatetracyclo[17.16.10.213,25.06,10]heptatetracontane-43-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid