Microviridin LH1667 (CHEBI:212486)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212486 - Microviridin LH1667

ChEBI ID	CHEBI:212486
ChEBI Name	Microviridin LH1667
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C80H100N14O23
Net Charge	0
Average Mass	1625.755
Monoisotopic Mass	1624.70858
SMILES	CC(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CO)C(O)=N[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=N[C@H]2CCCCN=C(O)CC[C@@H](N[C@@H](Cc3ccc(O)cc3)C(=O)O)C(=O)[C@@H]3CCC(=O)OC[C@H](N=C(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccc(O)cc4)N=C2O)C(O)=N[C@@H](CC(=O)O[C@@H]1C)C(O)=N[C@@H](Cc1cnc2ccccc12)C(O)=N3
InChI	InChI=1S/C80H100N14O23/c1-41(2)32-56-71(105)86-55-12-7-8-30-81-65(100)28-26-53(84-61(80(114)115)35-46-18-24-50(99)25-19-46)69(103)54-27-29-66(101)116-40-63(92-77(111)64-13-9-31-94(64)79(113)60(90-70(55)104)34-45-16-22-49(98)23-17-45)76(110)88-59(74(108)87-58(73(107)85-54)36-47-38-82-52-11-6-5-10-51(47)52)37-67(102)117-42(3)68(78(112)89-56)93-75(109)62(39-95)91-72(106)57(83-43(4)96)33-44-14-20-48(97)21-15-44/h5-6,10-11,14-25,38,41-42,53-64,68,82,84,95,97-99H,7-9,12-13,26-37,39-40H2,1-4H3,(H,81,100)(H,83,96)(H,85,107)(H,86,105)(H,87,108)(H,88,110)(H,89,112)(H,90,104)(H,91,106)(H,92,111)(H,93,109)(H,114,115)/t42-,53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,68+/m1/s1
InChIKey	NFNSLVJFCIPOAU-SOBUNMMOSA-N

Species of Metabolite	Component	Source	Comments
Microcystisspecies (ncbitaxon:1127)	-	DOI (10.1016/j.tet.2014.07.057)

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 LH1667 (CHEBI:212486) is a peptide (CHEBI:16670)

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

IUPAC Name

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