Microviridin G (CHEBI:227480)

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CHEBI:227480 - Microviridin G

ChEBI ID	CHEBI:227480
ChEBI Name	Microviridin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C88H111N17O25
Net Charge	0
Average Mass	1806.950
Monoisotopic Mass	1805.79370
SMILES	CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCCCNC(=O)CC[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/C88H111N17O25/c1-45(2)37-61-79(118)93-57-13-7-8-34-90-71(111)32-29-59(77(116)101-66(88(127)128)40-50-20-26-54(109)27-21-50)94-76(115)60-30-33-72(112)129-44-67(102-84(123)69-15-10-36-105(69)87(126)65(100-75(57)114)39-49-18-24-53(108)25-19-49)82(121)98-63(81(120)97-62(80(119)95-60)41-51-43-91-56-12-6-5-11-55(51)56)42-73(113)130-46(3)74(85(124)99-61)103-78(117)58(28-31-70(89)110)96-83(122)68-14-9-35-104(68)86(125)64(92-47(4)106)38-48-16-22-52(107)23-17-48/h5-6,11-12,16-27,43,45-46,57-69,74,91,107-109H,7-10,13-15,28-42,44H2,1-4H3,(H2,89,110)(H,90,111)(H,92,106)(H,93,118)(H,94,115)(H,95,119)(H,96,122)(H,97,120)(H,98,121)(H,99,124)(H,100,114)(H,101,116)(H,102,123)(H,103,117)(H,127,128)/t46-,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+/m1/s1
InChIKey	XHBISUXCZPXBOS-CZHVHIQZSA-N

Species of Metabolite	Component	Source	Comments
Nostoc minutum NIES-26 (ncbitaxon:1844469)	-	DOI (10.1016/s0031-9422(97)00131-3)

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 G (CHEBI:227480) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S)-2-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,44S)-30-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylpropyl)-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

IUPAC Name

(2S)-2-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,44S)-30-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylpropyl)-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Manual Xrefs	Databases
17303357	ChemSpider